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1-Propanethiol

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1-Propanethiol

EINECS 203-455-5
CAS No. 107-03-9 Density 0.826 g/cm3
Solubility immiscible with water Melting Point -113 °C
Formula C3H8S Boiling Point 67.8 °C at 760 mmHg
Molecular Weight 76.15 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;

 

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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