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Butanethiol
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Name

Butanethiol

 EINECS 203-705-3
CAS No. 109-79-5 Density 0.84 g/cm3
PSA 38.80000 LogP 1.71630
Solubility Slightly soluble in water Melting Point -116 °C(lit.)
Formula C4H10S Boiling Point 98.2 °C at 760 mmHg
Molecular Weight 90.1894 Flash Point 12.8 °C
Transport Information UN 2347 3/PG 2 Appearance colourless liquid
Safety 16-23-26-36-9-36/37-33 Risk Codes 11-20/22-36/37/38-21/22
Molecular Structure Molecular Structure of 109-79-5 (1-Butanethiol) Hazard Symbols FlammableF,HarmfulXn
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;

Article Data 120

Butanethiol Synthetic route

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

A

ytterbium hydroxide

B

109-79-5

1-butanethiol

C

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%
109-65-9

1-bromo-butane

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%
629-45-8

dibutyl disulfide

123-38-6

propionaldehyde

A

109-79-5

1-butanethiol

B

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%
124-09-4

1,6-Hexanediamine

bis(butylthio)-(3-methylbutyl) borane

A

(C5H11BNH(CH2)6NH)4

B

109-79-5

1-butanethiol

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

Cyclohexyl-dithiocarbamic acid butyl ester

A

109-79-5

1-butanethiol

B

1122-82-3

isothiocyanatocyclohexane

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

1-iodo-butane

109-79-5

1-butanethiol

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

butyl ethyldithiocarbamate

A

109-79-5

1-butanethiol

B

542-85-8

Ethyl isothiocyanate

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

dibutyl disulfide

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%
19911-91-2

n-Butyl-N-phenylthioformimidat

109-79-5

1-butanethiol

Conditions
ConditionsYield
With hydrogenchloride In water Ambient temperature;90%
124-09-4

1,6-Hexanediamine

bis(butylthio)-(3-methylbutyl) borane

A

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

B

109-79-5

1-butanethiol

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

Butanethiol Chemical Properties

IUPAC Name: Butane-1-thiol 
Molecular Formula: C4H10S
Molecular Weight: 90.18g/mol
EINECS: 203-705-3
Density: 0.84
Melting Point: -116°C 
Flash Point: 12 ºC
Freely Rotating Bonds: 3
Polar Surface Area: 38.8 Å2 
Enthalpy of Vaporization: 32.23 kJ/mol
Boiling Point: 98.2 °C at 760 mmHg
Vapour Pressure: 46.3 mmHg at 25°C
The Cas Register Number of 1-Butanethiol is 109-79-5 .The chemical synonyms of 1-Butanethiol  (CAS No.109-79-5) are Thiobutyl alcohol ; N-butyl thioalcohol ; N-Butanethiol ; N-Butyl mercaptan ; 1-Butanethiol[qr] ; Butanethiol(non-specificname) ; Butanethiol[qr] ; Butylmercaptan(non-specificname) .Product categories of  1-Butanethiol (CAS No.109-79-5) are Industrial/Fine chemicals ; Thiol flavor .The molecular structure of 1-Butanethiol (CAS No.109-79-5) is .

Butanethiol Uses

It can be used as an industrial solvent, and as an intermediate for insecticides and herbicides.

Butanethiol Toxicity Data With Reference

1.    

ratLD50:1500mg/kg

     American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
2.    

ratLD50:399mg/kg

     American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
3.    

mouseLD50:3gm/kg

     Prehled Prumyslove Toxikologi ; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 982, 1986.
4.    

dogLC50:770ppm/30M

     Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 982, 1986.

Butanethiol Safety Profile

Hazard Codes: FlammableF HarmfulXn
Risk Statements: 11-20/22-36/37/38-21/22
R11: Highly flammable. 
R20/22: Harmful by inhalation and if swallowed. 
R36/37/38: Irritating to eyes, respiratory system and skin. 
R21/22: Harmful in contact with skin and if swallowed. 
Safety Statements: 16-23-26-36-9-36/37-33
S16: Keep away from sources of ignition. 
S23: Do not breathe vapour. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36: Wear suitable protective clothing. 
S9: Keep container in a well-ventilated place. 
S36/37: Wear suitable protective clothing and gloves. 
S33: Take precautionary measures against static discharges.
RIDADR: UN2347 3/PG 2
WGK Germany: 3
RTECS EK: 6300000
F: 10-13-23
HazardClass: 3
PackingGroup: II

Butanethiol Specification

The extinguishing agent of 1-Butanethiol (CAS No.109-79-5) are dry powder, foam, sand, carbon dioxide, water mist.

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