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1-Butanethiol, also known as butyl mercaptan, is a colorless liquid with a strong, unpleasant odor. It is a volatile organic compound that serves various industrial applications due to its distinctive properties.

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  • 109-79-5 Structure
  • Basic information

    1. Product Name: 1-Butanethiol
    2. Synonyms: 1-Butylmercaptan;1-Mercaptobutane;Butyl mercaptan;Butylthiol;Thiobutyl alcohol;n-Butane-1-thiol;n-Butanethiol;n-Butyl mercaptan;n-Butylthioalcohol;n-Butylthiol;1-Butanethiol;
    3. CAS NO:109-79-5
    4. Molecular Formula: C4H10S
    5. Molecular Weight: 90.18
    6. EINECS: 203-705-3
    7. Product Categories: N/A
    8. Mol File: 109-79-5.mol
  • Chemical Properties

    1. Melting Point: -116℃
    2. Boiling Point: 98.2 °C at 760 mmHg
    3. Flash Point: 12.8 °C
    4. Appearance: colourless liquid
    5. Density: 0.84 g/cm3
    6. Vapor Pressure: 46.3mmHg at 25°C
    7. Refractive Index: N/A
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. Water Solubility: 0.60 g/100 mL. Slightly soluble
    11. CAS DataBase Reference: 1-Butanethiol(CAS DataBase Reference)
    12. NIST Chemistry Reference: 1-Butanethiol(109-79-5)
    13. EPA Substance Registry System: 1-Butanethiol(109-79-5)
  • Safety Data

    1. Hazard Codes:  F:Flammable;
    2. Statements: R11:; R21/22:;
    3. Safety Statements: S16:; S33:; S36/37:; S9:;
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 109-79-5(Hazardous Substances Data)

109-79-5 Usage

Uses

Used in Natural Gas and Petroleum Industry:
1-Butanethiol is used as an odorant in natural gas and petroleum products for safety purposes. Its strong smell helps in the early detection of gas leaks, thereby preventing potential accidents and hazards.
Used in Food Industry:
1-Butanethiol is used as a flavoring agent in the food industry. It contributes to the development of specific tastes and aromas in various food products, enhancing their overall sensory appeal.
Used in Pharmaceutical Industry:
1-Butanethiol is used as a chemical intermediate in the production of pharmaceuticals. It plays a crucial role in the synthesis of various organic compounds, facilitating the development of new drugs and medications.
However, it is important to note that 1-Butanethiol is highly flammable and can cause eye and skin irritation, as well as respiratory issues if inhaled. Additionally, its release into the atmosphere can contribute to air pollution, making it a potential environmental contaminant. Proper handling and safety measures are essential to minimize its adverse effects.

Check Digit Verification of cas no

The CAS Registry Mumber 109-79-5 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,0 and 9 respectively; the second part has 2 digits, 7 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 109-79:
(5*1)+(4*0)+(3*9)+(2*7)+(1*9)=55
55 % 10 = 5
So 109-79-5 is a valid CAS Registry Number.
InChI:InChI=1/C4H10S.Na/c1-2-3-4-5;/h5H,2-4H2,1H3;/q;+1/p-1

109-79-5 Well-known Company Product Price

  • Brand
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  • CAS number
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  • Detail
  • Alfa Aesar

  • (43421)  1-Butanethiol, 98%   

  • 109-79-5

  • 25ml

  • 171.0CNY

  • Detail
  • Alfa Aesar

  • (43421)  1-Butanethiol, 98%   

  • 109-79-5

  • 100ml

  • 261.0CNY

  • Detail
  • Alfa Aesar

  • (43421)  1-Butanethiol, 98%   

  • 109-79-5

  • 500ml

  • 627.0CNY

  • Detail
  • Aldrich

  • (112925)  1-Butanethiol  99%

  • 109-79-5

  • 112925-250ML

  • 416.52CNY

  • Detail
  • Aldrich

  • (112925)  1-Butanethiol  99%

  • 109-79-5

  • 112925-1L

  • 1,138.41CNY

  • Detail
  • Sigma-Aldrich

  • (20210)  1-Butanethiol  purum, ≥97.0% (GC)

  • 109-79-5

  • 20210-1L

  • 1,177.02CNY

  • Detail

109-79-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-Butanethiol

1.2 Other means of identification

Product number -
Other names Butyl Mercaptan

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:109-79-5 SDS

109-79-5Synthetic route

Yb(2+)*2CH3(CH2)3SCO2(1-) = (CH3(CH2)3SCO2)2Yb

Yb(2+)*2CH3(CH2)3SCO2(1-) = (CH3(CH2)3SCO2)2Yb

A

ytterbium hydroxide

ytterbium hydroxide

B

1-butanethiol
109-79-5

1-butanethiol

C

carbon dioxide
124-38-9

carbon dioxide

Conditions
ConditionsYield
With water In pentane addn. of a mixture (1:3) of water and pentane under Ar at room temperature; removing solvent and volatile compounds (BuSH) by vac. condensation;;A 100%
B 91%
C 96%
1-bromo-butane
109-65-9

1-bromo-butane

1-butanethiol
109-79-5

1-butanethiol

Conditions
ConditionsYield
With hydrosulfide exchange resin In acetonitrile at 25℃; for 0.25h; Product distribution; other halides, var. temp.;98%
With hydrosulfide exchange resin In acetonitrile at 25℃; for 0.25h;98%
Stage #1: 1-bromo-butane With thiourea In ethanol for 3h; Heating;
Stage #2: With sodium hydroxide In ethanol for 2h; Heating;
72%
dibutyl disulfide
629-45-8

dibutyl disulfide

propionaldehyde
123-38-6

propionaldehyde

A

1-butanethiol
109-79-5

1-butanethiol

B

butyl thiopropionate
2432-44-2

butyl thiopropionate

Conditions
ConditionsYield
at 5℃; for 2.5h; Mechanism; Irradiation; reductive acylation under photochemical conditions; other linear symmetrical disulfides; other aldehydes;A 87%
B 97%
at 5℃; for 2.5h; Irradiation;A 87%
B 97%
1,6-Hexanediamine
124-09-4

1,6-Hexanediamine

bis(butylthio)-(3-methylbutyl) borane

bis(butylthio)-(3-methylbutyl) borane

A

(C5H11BNH(CH2)6NH)4

(C5H11BNH(CH2)6NH)4

B

1-butanethiol
109-79-5

1-butanethiol

Conditions
ConditionsYield
at 40-45°C, boran:amine mol ratio 1:1;A 95%
B n/a
Cyclohexyl-dithiocarbamic acid butyl ester
83962-23-6

Cyclohexyl-dithiocarbamic acid butyl ester

A

1-butanethiol
109-79-5

1-butanethiol

B

isothiocyanatocyclohexane
1122-82-3

isothiocyanatocyclohexane

Conditions
ConditionsYield
at 250 - 260℃;A 93%
B 92%
1-iodo-butane
542-69-8

1-iodo-butane

1-butanethiol
109-79-5

1-butanethiol

Conditions
ConditionsYield
With hydrosulfide exchange resin In acetonitrile at 0℃; for 0.25h;93%
butyl ethyldithiocarbamate
83962-20-3

butyl ethyldithiocarbamate

A

1-butanethiol
109-79-5

1-butanethiol

B

Ethyl isothiocyanate
542-85-8

Ethyl isothiocyanate

Conditions
ConditionsYield
at 250 - 260℃;A 92%
B 87%
dibutyl disulfide
629-45-8

dibutyl disulfide

1-butanethiol
109-79-5

1-butanethiol

Conditions
ConditionsYield
With sodium hydrogen telluride In ethanol 1.) 0 deg C, 2.) 40 deg C, 30 min;91%
With triisopropoxyborohydride In tetrahydrofuran at 25℃; for 5h;81%
With sodium tetrahydroborate; lithium chloride In tetrahydrofuran at 0 - 35℃;60%
n-Butyl-N-phenylthioformimidat
19911-91-2

n-Butyl-N-phenylthioformimidat

1-butanethiol
109-79-5

1-butanethiol

Conditions
ConditionsYield
With hydrogenchloride In water Ambient temperature;90%
1,6-Hexanediamine
124-09-4

1,6-Hexanediamine

bis(butylthio)-(3-methylbutyl) borane

bis(butylthio)-(3-methylbutyl) borane

A

NH2(CH2)6NH(C5H11BNH(CH2)6NH)4H

NH2(CH2)6NH(C5H11BNH(CH2)6NH)4H

B

1-butanethiol
109-79-5

1-butanethiol

Conditions
ConditionsYield
at 40-45°C, boran:amine mol ratio 1:2 M;A 87%
B n/a
Diphenylthiophosphinsaeure-S-n-butylester
52372-89-1

Diphenylthiophosphinsaeure-S-n-butylester

A

1-butanethiol
109-79-5

1-butanethiol

B

diphenyl-phosphinic acid
1707-03-5

diphenyl-phosphinic acid

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran for 2h; Ambient temperature;A n/a
B 85%
n-Butyl chloride
109-69-3

n-Butyl chloride

3-mercaptopropionic acid
107-96-0

3-mercaptopropionic acid

A

1-butanethiol
109-79-5

1-butanethiol

B

Dibutyl sulfide
544-40-1

Dibutyl sulfide

C

3-(butylthio)propionic acid
22002-73-9

3-(butylthio)propionic acid

D

butyl 3-(butylthio)propanoate
121118-59-0

butyl 3-(butylthio)propanoate

Conditions
ConditionsYield
With sodium hydroxide In ethanol at 140℃; for 0.166667h; microwave irradiation; Further byproducts.;A n/a
B n/a
C 83%
D n/a
butyl carbamate
592-35-8

butyl carbamate

1-butanethiol
109-79-5

1-butanethiol

Conditions
ConditionsYield
With tetraphosphorus decasulfide In toluene for 2h; Reflux;76%
n-Butyl chloride
109-69-3

n-Butyl chloride

1-butanethiol
109-79-5

1-butanethiol

Conditions
ConditionsYield
With tetraethylammonium iodide; 1-(2-hydroxyethyl)-4,6-diphenylpyridin-2-thione In acetonitrile for 28h; Ambient temperature;65%
With magnesium hydroxide; water; sodium disulfide und anschliessend mit Natriumhydrogensulfid und Natriumsulfit;
dibutyl dimethylamidothiophosphite
53431-27-9

dibutyl dimethylamidothiophosphite

cis-3-azido-1,4-diphenylazetidin-2-one
16311-94-7

cis-3-azido-1,4-diphenylazetidin-2-one

A

1-butanethiol
109-79-5

1-butanethiol

C21H28N3O2PS

C21H28N3O2PS

Conditions
ConditionsYield
With water In benzene for 24h; Ambient temperature;A n/a
B 48%
dibutyl tetrasulfide
5943-36-2

dibutyl tetrasulfide

A

thiophene
188290-36-0

thiophene

B

5-methyl-[1,2]dithiole-3-thione
3354-40-3

5-methyl-[1,2]dithiole-3-thione

C

1-butanethiol
109-79-5

1-butanethiol

D

Dibutyl sulfide
544-40-1

Dibutyl sulfide

Conditions
ConditionsYield
at 450℃; for 0.0236111h; Product distribution; Mechanism; thermolysis of var. dibutyl polysulfides (C4H9)Sn (n = 2, 3); var. temp.;A 37.9%
B 5.4%
C 26%
D 4.2%
boric acid tributyl ester
688-74-4

boric acid tributyl ester

1-butanethiol
109-79-5

1-butanethiol

Conditions
ConditionsYield
With hydrogen sulfide; iron sulfide at 340℃; under 19000 - 22800 Torr; variing conditions:temperature 350-576 deg C,molar ratio, delivery rate, pressure);32%
di-n-butyl trisulfide
5943-31-7

di-n-butyl trisulfide

A

thiophene
188290-36-0

thiophene

B

1-butanethiol
109-79-5

1-butanethiol

Conditions
ConditionsYield
at 510℃; Product distribution; gas phase pyrolysis;A 13%
B 6.5%
thirane
420-12-2

thirane

diethyl ether
60-29-7

diethyl ether

phenyllithium
591-51-5

phenyllithium

A

1-butanethiol
109-79-5

1-butanethiol

B

thiophenol
108-98-5

thiophenol

trimethylene sulphide
287-27-4

trimethylene sulphide

n-butyllithium
109-72-8, 29786-93-4

n-butyllithium

diethyl ether
60-29-7

diethyl ether

A

1-butanethiol
109-79-5

1-butanethiol

B

butyl propyl sulfide
1613-46-3

butyl propyl sulfide

C

1-butylsulfanyl-3-propylsulfanyl-propane
867129-71-3

1-butylsulfanyl-3-propylsulfanyl-propane

cyclohexene sulfide
286-28-2

cyclohexene sulfide

n-butyl magnesium bromide
693-03-8

n-butyl magnesium bromide

diethyl ether
60-29-7

diethyl ether

A

1-butanethiol
109-79-5

1-butanethiol

B

cyclohexene
110-83-8

cyclohexene

cyclohexene sulfide
286-28-2

cyclohexene sulfide

n-butyllithium
109-72-8, 29786-93-4

n-butyllithium

diethyl ether
60-29-7

diethyl ether

A

1-butanethiol
109-79-5

1-butanethiol

B

cyclohexene
110-83-8

cyclohexene

1-butylene
106-98-9

1-butylene

A

1-butanethiol
109-79-5

1-butanethiol

B

Dibutyl sulfide
544-40-1

Dibutyl sulfide

Conditions
ConditionsYield
With hydrogen sulfide at 0℃; Irradiation.mit UV-Licht;
With hydrogen sulfide Irradiation.mit UV-Licht;
With dimethyl 2,2'-azobis(isobutyrate); hydrogen sulfide
butyl para-toluenesulfonate
778-28-9

butyl para-toluenesulfonate

1-butanethiol
109-79-5

1-butanethiol

Conditions
ConditionsYield
With water; sodium thiosulfate und anschliessenden Erhitzen mit wss.Schwefelsaeure;
With sodium hydrogensulfide; water
Dibutyl sulfide
544-40-1

Dibutyl sulfide

1-butanethiol
109-79-5

1-butanethiol

Conditions
ConditionsYield
With kieselguhr; phosphoric acid; hydrogen sulfide at 310℃;
With lithium aluminium tetrahydride; diethyl ether
dibutyl disulfide
629-45-8

dibutyl disulfide

A

1-butanethiol
109-79-5

1-butanethiol

B

n-butyl methyl sulfide
628-29-5

n-butyl methyl sulfide

Conditions
ConditionsYield
bei der Einw. von Penicillium brevicaule Saccardo;
bei der Einw. von Penicillium brevicaule Saccardo;
2,2-bis-butylsulfanyl-propane
6497-29-6

2,2-bis-butylsulfanyl-propane

A

2-butylsulfanyl-propene
89795-30-2

2-butylsulfanyl-propene

B

1-butanethiol
109-79-5

1-butanethiol

Conditions
ConditionsYield
Thermolysis;
butyl carbamodithioate
54300-26-4

butyl carbamodithioate

1-butanethiol
109-79-5

1-butanethiol

Conditions
ConditionsYield
With potassium hydroxide
1,1-bis-ethylsulfanyl-2-butylsulfanyl-propane
854649-78-8

1,1-bis-ethylsulfanyl-2-butylsulfanyl-propane

potassium tert-butylate
865-47-4

potassium tert-butylate

A

methylketene diethyldithioacetal
13879-93-1

methylketene diethyldithioacetal

B

1-butanethiol
109-79-5

1-butanethiol

perfluoro-1-butanesulfonyl fluoride
2386-60-9

perfluoro-1-butanesulfonyl fluoride

1-butanethiol
109-79-5

1-butanethiol

Conditions
ConditionsYield
With lithium aluminium tetrahydride; diethyl ether
2-((n-butylthio)methyl)oxirane
29765-12-6

2-((n-butylthio)methyl)oxirane

1-butanethiol
109-79-5

1-butanethiol

1,3-bis(n-butylthio)propan-2-ol
32338-86-6

1,3-bis(n-butylthio)propan-2-ol

Conditions
ConditionsYield
With tetraethylammonium bromide In acetonitrile cathodic electrolysis;100%
With sodium In methanol at 20 - 25℃; for 0.166667h;93%
With zinc(II) chloride
1-butanethiol
109-79-5

1-butanethiol

dibutyl disulfide
629-45-8

dibutyl disulfide

Conditions
ConditionsYield
With bis(2,2'-bipyridyl) copper(II) permanganate In dichloromethane for 0.166667h;100%
With oxygen; vanadium(V) oxychloride In ethyl acetate at 20℃; for 3h;100%
With water; bromine; silica gel In dichloromethane99%
4-methyleneoxetan-2-one
674-82-8

4-methyleneoxetan-2-one

1-butanethiol
109-79-5

1-butanethiol

4-(n-Butylthiomethyl)oxetan-2-on
72749-29-2

4-(n-Butylthiomethyl)oxetan-2-on

Conditions
ConditionsYield
In diethyl ether at 0℃; for 0.5h;100%
With sulfuric acid In diethyl ether for 2h; Ambient temperature;72%
In diethyl ether at 0 - 5℃;
1-butanethiol
109-79-5

1-butanethiol

5-phenylpenta-2,4-dienoic acid
28010-12-0

5-phenylpenta-2,4-dienoic acid

(2E,4E)-5-Phenyl-penta-2,4-dienethioic acid S-butyl ester
75839-78-0

(2E,4E)-5-Phenyl-penta-2,4-dienethioic acid S-butyl ester

Conditions
ConditionsYield
With pyridine; O-phenyl phosphorodichloridate In 1,2-dimethoxyethane for 16h; Ambient temperature;100%
1-butanethiol
109-79-5

1-butanethiol

levoglucosenone
37112-31-5

levoglucosenone

1,6-anhydro-4-S-butyl-3-deoxy-4-thio-β-D-erythro-hexopyranos-2-ulose
107838-62-0

1,6-anhydro-4-S-butyl-3-deoxy-4-thio-β-D-erythro-hexopyranos-2-ulose

Conditions
ConditionsYield
triethylamine In chloroform for 0.0833333h; Product distribution; Ambient temperature; var. thiols,;100%
triethylamine In chloroform for 0.0833333h; Ambient temperature;100%
With N-ethyl-N,N-diisopropylamine In chloroform at 20℃; for 96h; Michael Addition; Inert atmosphere;85%
1-butanethiol
109-79-5

1-butanethiol

N,N-Dimethyl-2,4-bis(trifluoroacetyl)-1-naphthylamine
115975-33-2

N,N-Dimethyl-2,4-bis(trifluoroacetyl)-1-naphthylamine

Butyl 1-<2,4-bis(trifluoroacetyl)naphthyl> sulfide
127053-11-6

Butyl 1-<2,4-bis(trifluoroacetyl)naphthyl> sulfide

Conditions
ConditionsYield
In acetonitrile for 41h; Heating;100%
In acetonitrile for 8h; Substitution; Heating;38%
1-butanethiol
109-79-5

1-butanethiol

trans-2-Phenylethenylmercuric chloride
36525-03-8, 60592-55-4, 16187-31-8

trans-2-Phenylethenylmercuric chloride

(E)-butyl(styryl)sulfane
20025-27-8, 24182-85-2, 24182-86-3

(E)-butyl(styryl)sulfane

Conditions
ConditionsYield
With sodium hydrogencarbonate In benzene at 35 - 45℃; for 3h; Irradiation;100%
1-butanethiol
109-79-5

1-butanethiol

methyl-8,9-(S,S)-epoxy-5-hidroxy-6-dodecenoate
115065-97-9, 115116-03-5

methyl-8,9-(S,S)-epoxy-5-hidroxy-6-dodecenoate

methyl-5,9-dihydroxy-8-butanethiol-6-dodecenoate
115066-01-8

methyl-5,9-dihydroxy-8-butanethiol-6-dodecenoate

Conditions
ConditionsYield
With triethylamine In methanol for 45h; Ambient temperature;100%
1-butanethiol
109-79-5

1-butanethiol

5-Methoxy-4-phenyl-5,6-dihydro-4H-[1,3,4]thiadiazine
96286-28-1

5-Methoxy-4-phenyl-5,6-dihydro-4H-[1,3,4]thiadiazine

5-Butylsulfanyl-4-phenyl-5,6-dihydro-4H-[1,3,4]thiadiazine

5-Butylsulfanyl-4-phenyl-5,6-dihydro-4H-[1,3,4]thiadiazine

Conditions
ConditionsYield
Ambient temperature;100%
1-butanethiol
109-79-5

1-butanethiol

C51H44O7S
164022-65-5

C51H44O7S

C55H52O6S2

C55H52O6S2

Conditions
ConditionsYield
100%
1-butanethiol
109-79-5

1-butanethiol

C61H60O7S
164022-66-6

C61H60O7S

C65H68O6S2

C65H68O6S2

Conditions
ConditionsYield
100%
98%
1-butanethiol
109-79-5

1-butanethiol

N,N-dimethyl-5,7-bis(trifluoroacetyl)-8-quinolylamine
221636-53-9

N,N-dimethyl-5,7-bis(trifluoroacetyl)-8-quinolylamine

1-[8-Butylsulfanyl-7-(2,2,2-trifluoro-acetyl)-quinolin-5-yl]-2,2,2-trifluoro-ethanone

1-[8-Butylsulfanyl-7-(2,2,2-trifluoro-acetyl)-quinolin-5-yl]-2,2,2-trifluoro-ethanone

Conditions
ConditionsYield
In acetonitrile for 24h; Substitution; Heating;100%
1-butanethiol
109-79-5

1-butanethiol

8-bromo-2'-deoxyadenosine
14985-44-5

8-bromo-2'-deoxyadenosine

(2R,3S,5R)-5-(6-Amino-8-butylsulfanyl-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol

(2R,3S,5R)-5-(6-Amino-8-butylsulfanyl-purin-9-yl)-2-hydroxymethyl-tetrahydro-furan-3-ol

Conditions
ConditionsYield
With triethylamine In water at 100℃;100%
gallium(II) bromide

gallium(II) bromide

1-butanethiol
109-79-5

1-butanethiol

(GaBr2SC4H9)2
97092-85-8

(GaBr2SC4H9)2

Conditions
ConditionsYield
In further solvent(s) byproducts: H2; dry thiol was condensed on to cooled solid Ga2Br4 in vac., warmed for 5min; crystd. on standing;100%
1-butanethiol
109-79-5

1-butanethiol

In2I4

In2I4

(InI2(SC4H9))2
97092-66-5

(InI2(SC4H9))2

Conditions
ConditionsYield
In further solvent(s) thiol was condensed on to cooled solid In2I4 in vac., warmed for 12 h;100%
Ga2I4

Ga2I4

1-butanethiol
109-79-5

1-butanethiol

(GaI2SC4H9)2
97092-86-9

(GaI2SC4H9)2

Conditions
ConditionsYield
In further solvent(s) byproducts: H2; dry thiol was condensed on to cooled solid Ga2I4 in vac., warmed for 5 min; crystd. on standing;100%
Br4In2

Br4In2

1-butanethiol
109-79-5

1-butanethiol

(InBr2(SC4H9))2
97092-65-4

(InBr2(SC4H9))2

Conditions
ConditionsYield
In further solvent(s) thiol was condensed on to cooled solid In2Br4 in vac., warmed for 12 h;100%
digallium tetrachloride

digallium tetrachloride

1-butanethiol
109-79-5

1-butanethiol

(GaCl2SC4H9)2
97092-84-7

(GaCl2SC4H9)2

Conditions
ConditionsYield
In further solvent(s) byproducts: H2; dry thiol was condensed on to cooled solid Ga2Cl4 in vac., warmed for 5min; crystd. on standing;100%
In2Cl4

In2Cl4

1-butanethiol
109-79-5

1-butanethiol

(InCl2(SC4H9))2
97092-64-3

(InCl2(SC4H9))2

Conditions
ConditionsYield
In further solvent(s) thiol was condensed on to cooled solid In2Cl4 in vac., warmed for 12 h;100%
[(η5-C5Me5)Ir(Cl)(μ-H)]2
56086-50-1, 84029-37-8

[(η5-C5Me5)Ir(Cl)(μ-H)]2

1-butanethiol
109-79-5

1-butanethiol

hydrogen
1333-74-0

hydrogen

[(η(5)-C5Me5)IrCl]2(μ-H)(μ-SC4H9)
188780-11-2

[(η(5)-C5Me5)IrCl]2(μ-H)(μ-SC4H9)

Conditions
ConditionsYield
In benzene-d6 H2-atmosphere; 90°C (30 h); detd. by NMR spectroscopy;100%
1-butanethiol
109-79-5

1-butanethiol

1-bromo-2-methylnaphtalene
2586-62-1

1-bromo-2-methylnaphtalene

butyl(2-methylnaphthalen-1-yl)sulfane

butyl(2-methylnaphthalen-1-yl)sulfane

Conditions
ConditionsYield
Stage #1: n-butanethiol With sodium t-butanolate In tetrahydrofuran at 23℃; for 0.166667h; Inert atmosphere;
Stage #2: With zinc(II) chloride In tetrahydrofuran for 0.166667h; Inert atmosphere;
Stage #3: 1-bromo-2-methylnaphtalene With di-μ-bromobis(tri-tert-butylphosphino)dipalladium(I); lithium iodide In tetrahydrofuran at 90℃; for 2h; Inert atmosphere;
100%
1-butanethiol
109-79-5

1-butanethiol

2,4-dinitro-5-fluoroaniline
367-81-7

2,4-dinitro-5-fluoroaniline

5-(butylthio)-2,4-dinitrobenzenamine
1448876-48-9

5-(butylthio)-2,4-dinitrobenzenamine

Conditions
ConditionsYield
With potassium hydroxide In tetrahydrofuran100%
With potassium hydroxide In tetrahydrofuran; water at 20℃; for 1h;99%
isophorone oxide
10276-21-8

isophorone oxide

1-butanethiol
109-79-5

1-butanethiol

C13H22OS

C13H22OS

Conditions
ConditionsYield
Stage #1: n-butanethiol With sodium ethanolate at 20℃; for 0.166667h;
Stage #2: isophorone oxide at 20℃; for 1h;
100%
2-Acetylthiophene
88-15-3

2-Acetylthiophene

formaldehyd
50-00-0

formaldehyd

1-butanethiol
109-79-5

1-butanethiol

1-(α-thienyl)-2,2-bis(butylthiomethyl)-1-ethanone
100804-79-3

1-(α-thienyl)-2,2-bis(butylthiomethyl)-1-ethanone

Conditions
ConditionsYield
With sodium hydroxide In ethanol; water Ambient temperature;99.1%
1-butanethiol
109-79-5

1-butanethiol

acrylonitrile
107-13-1

acrylonitrile

3-(butylthio)propanenitrile
51771-37-0

3-(butylthio)propanenitrile

Conditions
ConditionsYield
With azaphosphatrane salt on Merrifield resin In acetonitrile at 20℃; for 48h; Michael addition;99%
With C10H20NaO5*HO(1-); water In methanol at 25℃; for 0.416667h; Michael addition;99%
Stage #1: n-butanethiol With aluminum oxide; potassium fluoride In acetonitrile at 20℃; for 0.0833333h;
Stage #2: acrylonitrile In acetonitrile at 20℃; for 0.166667h; Michael addition;
98%
1-butanethiol
109-79-5

1-butanethiol

2-phenoxypropionic acid
940-31-8

2-phenoxypropionic acid

2-Phenoxythiopropionsaeure-S-butylester
62170-11-0

2-Phenoxythiopropionsaeure-S-butylester

Conditions
ConditionsYield
With pyridine; O-phenyl phosphorodichloridate In 1,2-dimethoxyethane for 16h; Ambient temperature;99%
1-butanethiol
109-79-5

1-butanethiol

vinyl β-acetylacrylate
79865-08-0

vinyl β-acetylacrylate

2-butylthioethyl β-acetylacrylate
79865-16-0

2-butylthioethyl β-acetylacrylate

Conditions
ConditionsYield
for 40h; Irradiation;99%
1-butanethiol
109-79-5

1-butanethiol

C12H19N3O2

C12H19N3O2

Adamantan-1-yl-thiocarbamic acid S-butyl ester

Adamantan-1-yl-thiocarbamic acid S-butyl ester

Conditions
ConditionsYield
In acetonitrile at 60℃; for 2h;99%
1-butanethiol
109-79-5

1-butanethiol

acrylonitrile
107-13-1

acrylonitrile

A

3-(butylthio)propanenitrile
51771-37-0

3-(butylthio)propanenitrile

B

2-Butylsulfanylmethyl-pentanedinitrile
123564-12-5

2-Butylsulfanylmethyl-pentanedinitrile

Conditions
ConditionsYield
With dimanganese decacarbonyl at 140℃; for 1h;A 99%
B 0.5%

109-79-5Related news

AFM and XPS studies of thiophene and 1-Butanethiol (cas 109-79-5) deactivation of Pd/Al2O3 model catalysts during 1,3-butadiene hydrogenation08/24/2019

AFM and XPS data for model Pd supported catalysts show that the morphology of these catalysts is greatly affected by reduction in hydrogen and by addition of sulfur compounds to the surface before reaction. It was found that reduction of the catalyst before thiophene addition decreases the S/Pd ...detailed

Surface-enhanced Raman scattering of 1-Butanethiol (cas 109-79-5) in silver sol08/23/2019

The surface-enhanced Raman scattering (SERS) of 1-butanethiol was investigated in a silver sol. The molecule was found to be chemisorbed dissociatively on the silver surface by rupture of its SH bond. It is concluded that conformers of 1-butanethiol adsorbed selectively on the silver surface, ...detailed

Influence of 1-Butanethiol (cas 109-79-5) and metal ions on hydrogenation of trans,trans-2,4-hexadienal at platinum nanocatalysts08/22/2019

The catalytic behavior of platinum nanoparticles modified by iron (III) ions and 1-butanethiol was evaluated by determining the selectivity of hydrogenation of trans,trans-2,4-hexadienal, where the hydrogenation products were monitored by UV–vis spectroscopy and gas chromatograph. For the pure ...detailed

Mechanistic kinetics of catalytic oxidation of 1-Butanethiol (cas 109-79-5) in light oil sweetening08/21/2019

In the present study the kinetics of liquid phase oxidation of light thiols using novel cobalt phthalocyanine sulphonamide catalyst developed indigenously was investigated in a semi batch reactor. 1-Butanethiol was chosen to represent thiols in lighter range of petroleum fractions like liquefied...detailed

Phase equilibria on five binary systems containing 1-Butanethiol (cas 109-79-5) and 3-methylthiophene in hydrocarbons08/19/2019

Isothermal vapor–liquid equilibrium (VLE) of the following systems was measured with a recirculation still: 1-butanethiol + methylcyclopentane at 343.15 K, 1-butanethiol + 2,2,4-trimethylpentane at 368.15 K, 3-methylthiophene + toluene at 383.15 K, 3-methylthiophene + o-xylene at 383.15 K, and ...detailed

109-79-5Relevant articles and documents

TRANSFORMATIONS OF 2-METHYLTHIACYCLOBUTANE IN THE PRESENCE OF ALUMINUM OXIDE

Yuskovich, A. K.,Danilova, T. A.,Viktorova, E. A.

, p. 141 - 144 (1982)

The transformations of 2-methylthiacyclobutane at 150-350 deg C in the presence of γ-Al2O3 samples with different aprotic acidities were investigated.It was established that the sulfide undergoes isomerization via two pathways, viz., with ring expansion to a five-membered ring and with opening at one C-S bond to give an unsaturated thiol.An experimental confirmation of the consecutive formation of hydrogen sulfide from a one-ring sulfide through a step involving the formation of an unsaturated thiol was obtained for the first time.The transformations are realized asa result of both ionic and polymerization-depolymerization processes.

Standard enthalpies of formation of Li, Na, K, and Cs thiolates

Leal, Joao P.

, p. 441 - 446 (2010)

The standard enthalpies of formation of alkaline metals thiolates in the crystalline state were determined by reaction-solution calorimetry. The obtained results at 298.15 K were as follows: δfH°m(MSR, cr)/kJ mol-1 = -259.0 ± 1.6 (LiSC2H5), -199.9 ± 1.8 (NaSC2H5), -254.9 ± 2.4 (NaSC4H9), -240.6 ± 1.9 (KSC2H 5), -235.8 ± 2.0 (CsSC2H5). These results where compared with the literature values for the corresponding alkoxides and together with values for δfH° m(MSR, cr) were used to derive a consistent set of lattice energies for MSR compounds based on the Kapustinskii equation. This allows the estimation of the enthalpy of formation for some non-measured thiolates.

Photoactivatable Odorants for Chemosensory Research

Gore, Sangram,Ukhanov, Kirill,Herbivo, Cyril,Asad, Naeem,Bobkov, Yuriy V.,Martens, Jeffrey R.,Dore, Timothy M.

, p. 2516 - 2528 (2020/10/02)

The chemosensory system of any animal relies on a vast array of detectors tuned to distinct chemical cues. Odorant receptors and the ion channels of the TRP family are all uniquely expressed in olfactory tissues in a species-specific manner. Great effort has been made to characterize the molecular and pharmacological properties of these proteins. Nevertheless, most of the natural ligands are highly hydrophobic molecules that are not amenable to controlled delivery. We sought to develop photoreleasable, biologically inactive odorants that could be delivered to the target receptor or ion channel and effectively activated by a short light pulse. Chemically distinct ligands eugenol, benzaldehyde, 2-phenethylamine, ethanethiol, butane-1-thiol, and 2,2-dimethylethane-1-thiol were modified by covalently attaching the photoremovable protecting group (8-cyano-7-hydroxyquinolin-2-yl)methyl (CyHQ). The CyHQ derivatives were shown to release the active odorant upon illumination with 365 and 405 nm light. We characterized their bioactivity by measuring activation of recombinant TRPV1 and TRPA1 ion channels expressed in HEK 293 cells and the electroolfactogram (EOG) response from intact mouse olfactory epithelium (OE). Illumination with 405 nm light was sufficient to robustly activate TRP channels within milliseconds of the light pulse. Photoactivation of channels was superior to activation by conventional bath application of the ligands. Photolysis of the CyHQ-protected odorants efficiently activated an EOG response in a dose-dependent manner with kinetics similar to that evoked by the vaporized odorant amyl acetate (AAc). We conclude that CyHQ-based, photoreleasable odorants can be successfully implemented in chemosensory research.

COPPER PROTECTIVE AGENT

-

Paragraph 0033-0034, (2019/05/24)

A copper protective agent is provided. The copper protective agent is represented by a general formula (GI): HS—R (GI); and R is a linear or branched alkyl group having 1 to 20 carbon atoms.

Hydropersulfides: H-Atom Transfer Agents Par Excellence

Chauvin, Jean-Philippe R.,Griesser, Markus,Pratt, Derek A.

supporting information, p. 6484 - 6493 (2017/09/12)

Hydropersulfides (RSSH) are formed endogenously via the reaction of the gaseous biotransmitter hydrogen sulfide (H2S) and disulfides (RSSR) and/or sulfenic acids (RSOH). RSSH have been investigated for their ability to store H2S in vivo and as a line of defense against oxidative stress, from which it is clear that RSSH are much more reactive to two-electron oxidants than thiols. Herein we describe the results of our investigations into the H-atom transfer chemistry of RSSH, contrasting it with the well-known H-atom transfer chemistry of thiols. In fact, RSSH are excellent H-atom donors to alkyl (k ~ 5 × 108 M-1 s-1), alkoxyl (k ~ 1 × 109 M-1 s-1), peroxyl (k ~ 2 × 106 M-1 s-1), and thiyl (k > 1 × 1010 M-1 s-1) radicals, besting thiols by as little as 1 order and as much as 4 orders of magnitude. The inherently high reactivity of RSSH to H-atom transfer is based largely on thermodynamic factors; the weak RSS-H bond dissociation enthalpy (~70 kcal/mol) and the associated high stability of the perthiyl radical make the foregoing reactions exothermic by 15-34 kcal/mol. Of particular relevance in the context of oxidative stress is the reactivity of RSSH to peroxyl radicals, where favorable thermodynamics are bolstered by a secondary orbital interaction in the transition state of the formal H-atom transfer that drives the inherent reactivity of RSSH to match that of α-tocopherol (α-TOH), nature's premier radical-trapping antioxidant. Significantly, the reactivity of RSSH eclipses that of α-TOH in H-bond-accepting media because of their low H-bond acidity (α2H ~ 0.1). This affords RSSH a unique versatility compared to other highly reactive radical-trapping antioxidants (e.g., phenols, diarylamines, hydroxylamines, sulfenic acids), which tend to have high H-bond acidities. Moreover, the perthiyl radicals that result are highly persistent under autoxidation conditions and undergo very rapid dimerization (k = 5 × 109 M-1 s-1) in lieu of reacting with O2 or autoxidizable substrates.

Phosphorus Pentasulfide Mediated Conversion of Primary Carbamates into Thiols

Maurya, Chandra Kant,Gupta, Pradeep Kumar

, p. 1649 - 1651 (2017/08/11)

In this paper, we report a method for the conversion of primary carbamates into thiols in the presence of phosphorus pentasulfide (P 2 S 5) in refluxing toluene. Presently, no method exists in the literature for conversion of carbamates into thiols and, to the best of our knowledge, it is the first report for this type of conversion. This method presents an indirect route for the conversion of alcohols into thiols via their carbamate derivatives that may be useful in the total synthesis of compounds containing a thiol functionality.

Insight into the Mechanism of Reversible Ring-Opening of 1,3-Benzoxazine with Thiols

Urbaniak, Tobias,Soto, Marc,Liebeke, Manuel,Koschek, Katharina

, p. 4050 - 4055 (2017/04/27)

The reversible ring-opening addition and fragmentation reaction of p-cresol-based N-phenylbenzoxazine with aliphatic and aromatic thiols was investigated in solvent-mediated and solvent-free reactions. Independently of the used thiol, N-phenylbenzoxazine and the thiols reacted to equilibrium with comparable amounts of reactants and products in aprotic solvent, whereas in protic solvent almost full conversions were reached. In contrast, thiol reactivity was a crucial factor in solvent-free reactions yielding fast and complete conversions for a more acidic thiol and balanced equilibrium concentrations in case of thiols with high pKa values. The strong influence of thiols with low pKa values emphasizes the relevance of the protonation step in the ring-opening reactions of 1,3-benzoxazines with thiols in absence of solvents where acidity predominates nucleophilicity. The reverse reactions, namely adduct dissociation and benzoxazine recovery, were successfully conducted at elevated temperatures and reduced pressure facilitated by the removal of the formed thiols yielding up to 95% recovered 1,3-benzoxazine. These results provide deeper understanding of the reversible ring-opening reaction mechanism of 1,3-benzoxazine with thiols.

Two-step three-component process for one-pot synthesis of 8-alkylmercaptocaffeine derivatives

Rad, M. N. Soltani,Maghsoudi

, p. 70335 - 70342 (2016/08/06)

A highly efficient, odourless and two-step three-component process for one-pot synthesis of some 8-alkylmercaptocaffeine derivatives has been described. The catalyst-free three-component reaction of alkyl bromides, thiourea, and 8-bromocaffeine gave 8-alkylmercaptocaffeine products in excellent to quantitative yields. In addition, the impact of parameters on sample reaction is discussed.

Interrogation of the Substrate Profile and Catalytic Properties of the Phosphotriesterase from Sphingobium sp. Strain TCM1: An Enzyme Capable of Hydrolyzing Organophosphate Flame Retardants and Plasticizers

Xiang, Dao Feng,Bigley, Andrew N.,Ren, Zhongjie,Xue, Haoran,Hull, Kenneth G.,Romo, Daniel,Raushel, Frank M.

, p. 7539 - 7549 (2016/01/09)

The most familiar organophosphorus compounds are the neurotoxic insecticides and nerve agents. A related group of organophosphorus compounds, the phosphotriester plasticizers and flame retardants, has recently become widely used. Unlike the neurotoxic phosphotriesters, the plasticizers and flame retardants lack an easily hydrolyzable bond. While the hydrolysis of the neurotoxic organophosphates by phosphotriesterase enzymes is well-known, the lack of a labile bond in the flame retardants and plasticizers renders them inert to typical phosphotriesterases. A phosphotriesterase from Sphingobium sp. strain TCM1 (Sb-PTE) has recently been reported to catalyze the hydrolysis of organophosphorus flame retardants. This enzyme has now been expressed in Escherichia coli, and the activity with a wide variety of organophosphorus substrates has been characterized and compared to the activity of the well-known phosphotriesterase from Pseudomonas diminuta (Pd-PTE). Structure prediction suggests that Sb-PTE has a β-propeller fold, and homology modeling has identified a potential mononuclear manganese binding site. Sb-PTE exhibits catalytic activity against typical phosphotriesterase substrates such as paraoxon, but unlike Pd-PTE, Sb-PTE is also able to effectively hydrolyze flame retardants, plasticizers, and industrial solvents. Sb-PTE can hydrolyze both phosphorus-oxygen bonds and phosphorus-sulfur bonds, but not phosphorus-nitrogen bonds. The best substrate for Sb-PTE is the flame retardant triphenyl phosphate with a kcat/Km of 1.7 × 106 M-1 s-1. Quite remarkably, Sb-PTE is also able to hydrolyze phosphotriesters with simple alcohol leaving groups such as tributyl phosphate (kcat/Km = 40 M-1 s-1), suggesting that this enzyme could be useful for the bioremediation of a wide variety of organophosphorus compounds.

The Ever-surprising chemistry of boron: Enhanced acidity of phosphine·boranes

Hurtado, Marcela,Yanez, Manuel,Herrero, Rebeca,Guerrero, Andres,Juan Z. Davalos,Jose-Luis, M. Abboud,Khater, Brahim,Guillemin, Jean-Claude

supporting information; experimental part, p. 4622 - 4629 (2009/12/29)

The gas-phase acidity of a series of phosphines and their corresponding phosphine·borane derivatives was measured by FT-ICR techniques. BH 3 attachment leads to a substantial increase of the intrinsic acidity of the system (from 80 to 110 kJ mol-1). This acidity-enhancing effect of BH3 is enormous, between 13 and 18 orders of magnitude in terms of ionization constants. This indicates that the enhancement of the acidity of protic acids by Lewis acids usually observed in solution also occurs in the gas phase. High- level DFT calculations reveal that this acidity enhancement is essentially due to stronger stabilization of the anion with respect to the neutral species on BH3 association, due to a stronger electron donor ability of P in the anion and better dispersion of the negative charge in the system when the BH3 group is present. Our study also shows that deprotonation of ClCH2PH2 and ClCH 2PH2·BH3 is followed by chloride departure. For the latter compound deprotonation at the BH3 group is found to be more favorable than PH2 deprotonation, and the subsequent loss of Cl- is kinetically favored with respect to loss of Cl - in a typical SN2 process. Hence, ClCH2PH 2·BH3 is the only phosphine·borane adduct included in this study which behaves as a boron acid rather than as a phosphorus acid.

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