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1-Propanethiol
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Name

1-Propanethiol

 EINECS 203-455-5
CAS No. 107-03-9 Density 0.826 g/cm3
PSA 38.80000 LogP 1.32620
Solubility immiscible with water Melting Point -113 °C
Formula C3H8S Boiling Point 67.8 °C at 760 mmHg
Molecular Weight 76.1625 Flash Point -20 °C
Transport Information UN 2402 3/PG 2 Appearance clear colourless liquid
Safety 16-26-39-57-36/37/39-29 Risk Codes 11-41-50-36/37/38-21/22
Molecular Structure Molecular Structure of 107-03-9 (1-Propanethiol) Hazard Symbols FlammableF, HarmfulXn, DangerousN
Synonyms

1-Mercaptopropane;1-Propyl mercaptan;1-Propylthiol;Propyl mercaptan;Propylthiol;n-Propanethiol;n-Propyl mercaptan;n-Propylthiol;

Article Data 79

1-Propanethiol Synthetic route

869-56-7

tripropyl phosphorotrithioite

120-80-9

benzene-1,2-diol

A

181-85-1

2,2-'spirobi(1,3,2-benzodioxaphosphole)

B

107-03-9

1-thiopropane

Conditions
ConditionsYield
at 90 - 95℃; under 0.02 Torr; for 0.5h;A 72%
B 96%
107-21-1

ethylene glycol

N,N-tetraethyldiamidothiophosphite S-propyl

A

107-03-9

1-thiopropane

B

3646-10-4, 54515-09-2, 673460-28-1

1,4,6,9-tetraoxa-5λ5-phosphaspiro[4,4]nonane

C

109-89-7

diethylamine

Conditions
ConditionsYield
at 120 - 130℃; for 1h;A n/a
B 90%
C n/a
at 120 - 130℃; for 1h; Product distribution;A n/a
B 90%
C n/a
84839-06-5

dipropyl phenylphosphoramidodithioite

A

107-03-9

1-thiopropane

B

869-56-7

tripropyl phosphorotrithioite

C

62-53-3

aniline

Conditions
ConditionsYield
at 175 - 180℃; for 10h;A 0.7 g
B 89%
C 71%
at 175 - 180℃; for 10h; Product distribution; other reagent: water; presence of solvent: dioxane; other temperature and reaction time.;A 0.7 g
B 89%
C 71%
106-94-5

propyl bromide

107-03-9

1-thiopropane

Conditions
ConditionsYield
Stage #1: propyl bromide With thiourea In ethanol for 3h; Heating;
Stage #2: With sodium hydroxide In ethanol for 2h; Heating;		86%
With potassium hydroxide; hydrogen sulfide
With hydrogen sulfide; sodium ethanolate zuletzt bei Siedetemperatur;
With ethanol; potassium hydrosulfide
With thiourea In ethanol Reflux;
103-72-0

phenyl isothiocyanate

84839-06-5

dipropyl phenylphosphoramidodithioite

A

107-03-9

1-thiopropane

B

869-56-7

tripropyl phosphorotrithioite

C

102-08-9

N,N-diphenylthiourea

Conditions
ConditionsYield
In hexane for 3h; Heating;A n/a
B 83%
C 59%
627-12-3

1-propyl carbamate

107-03-9

1-thiopropane

Conditions
ConditionsYield
With tetraphosphorus decasulfide In toluene for 2h; Reflux;78%
53431-44-0

dipropyl diethylphosphoramidodithioite

120-80-9

benzene-1,2-diol

A

107-03-9

1-thiopropane

B

diethylammonium tris(o-phenylenedioxy)phosphate

Conditions
ConditionsYield
at 65℃; in the vacuum of an oil pump;A 75%
B 77%
84839-06-5

dipropyl phenylphosphoramidodithioite

A

107-03-9

1-thiopropane

B

869-56-7

tripropyl phosphorotrithioite

C

33921-12-9

anilinium dihydrogen phosphite

D

62-53-3

aniline

Conditions
ConditionsYield
With water In 1,4-dioxane for 72h; Further byproducts given;A n/a
B 61%
C 67%
D 26%
123-42-2

4-Hydroxy-4-methyl-2-pentanone

16543-44-5

Ethylthiophosphinsaeure-propylester-chlorid

A

107-03-9

1-thiopropane

B

19016-65-0

2-ethyl-3,3,5-trimethyl-1,2-oxaphosphol-4-ene 2-oxide

C

51805-02-8

(1,1-Dimethyl-3-oxo-butyl)-ethyl-phosphinothioic acid S-propyl ester

Conditions
ConditionsYield
A 10%
B 11%
C 56%
52687-98-6

1,4-di(n-propyl)tetrasulfane

A

534-25-8

1,2-dithiole-3-thione

B

107-03-9

1-thiopropane

C

111-47-7

propyl sulfide

D

629-19-6

Dipropyl disulfide

Conditions
ConditionsYield
at 350℃;A 52%
B 14%
C 4%
D 15%

1-Propanethiol Chemical Properties

Molecular Structure of 1-Propanethiol (CAS NO.107-03-9):

IUPAC Name: Propane-1-thiol
Canonical SMILES: CCCS
InChI: InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
InChIKey: SUVIGLJNEAMWEG-UHFFFAOYSA-N
Molecular Weight: 76.16062 [g/mol]
Molecular Formula: C3H8S
XLogP3: 1.8 
EINECS: 203-455-5
Product Categories: thiol Flavor
Index of Refraction: 1.431
Surface Tension: 23.7 dyne/cm
Density: 0.826 g/cm3
Flash Point: -5 °F
Melting point: -113 °C
Enthalpy of Vaporization: 29.54 kJ/mol
Boiling Point: 67.8 °C at 760 mmHg
Vapour Pressure: 156 mmHg at 25 °C
Storage temp: Flammables area
Water Solubility : immiscible.
Appearance: clear colourless liquid.
Classification Code: Skin / Eye Irritant 

1-Propanethiol Uses

 1-Propanethiol (CAS NO.107-03-9) can be used as raw materials of organic synthesis, is also a pesticide intermediate.

1-Propanethiol Production

 1-Propanethiol (CAS NO.107-03-9)derived by the reaction of thiourea with bromopropane .
Thiourea with bromine in methanol solution, refluxed 3h, recovery of methanol, add dilute sodium hydroxide solution and then refluxed 6h.Then, slowly drop dilute sulfuric acid, with the increase steamed out Propanethiol, when the sulfuric acid plus finished, continue distillation until no oil is up steamed. Collected the crude oil layer, drying with anhydrous calcium chloride, and then distillation, collecting (Boiling point : 66.5 ~ 76.5 °C ) distillation ,which is 1-Propanethiol (CAS NO.107-03-9).

1-Propanethiol Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 4010ppm/4H (4010ppm) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: CHROMODACYRORREA: EYE		 American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
rat LC50 inhalation 7300ppm/4H (7300ppm) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE		 American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
rat LD50 intraperitoneal 515mg/kg (515mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: COMA		 American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.
rat LD50 oral 1790mg/kg (1790mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: COMA		 American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958.

1-Propanethiol Safety Profile

A poison. Moderately toxic by intraperitoneal route. Mildly toxic by inhalation. A severe eye irritant. A flammable liquid and very dangerous fire hazard when exposed to heat or flame. Explodes on contact with calcium hypochlorite. When heated to decomposition it emits toxic fumes of SOx.
Hazard Codes: FlammableF,HarmfulXn,DangerousN
Risk Statements: 11-41-50-36/37/38-21/22 
R11:Highly flammable. 
R41:Risk of serious damage to the eyes. 
R50:Very toxic to aquatic organisms. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R21/22:Harmful in contact with skin and if swallowed.
Safety Statements: 16-26-57-36/37/39-29 
S16:Keep away from sources of ignition. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S29:Do not empty into drains. 
S57:Use appropriate container to avoid environmental contamination. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 2402 3/PG 2
WGK Germany: 3
RTECS: TZ7300000
F: 13
HazardClass: 3
PackingGroup: II

1-Propanethiol Specification

 1-Propanethiol (CAS NO.107-03-9), its Synonyms are 1-Mercaptopropane ; 1-Propyl mercaptan ; Propyl mercaptan ; Propylthiol ; n-Propanethiol ; n-Propyl mercaptan ; n-Propylthiol .

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