1-Propanethiol

Catalog	ACM107039
CAS	107-03-9
Structure
Category	Environmental Standards
Description	Propyl mercaptan appears as a colorless liquid with a strong, offensive odor. Moderately toxic. Flash point below 0°F. Less dense than water and slightly soluble in water. Hence floats on water. Used as a chemical intermediate and a herbicide.;Liquid;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;colourless to pale yellow liquid with cabbage-like, sulfuraceous odour;Colorless liquid with an offensive, cabbage-like odor.
Synonyms	Propanethiol
IUPAC Name	propane-1-thiol
Molecular Weight	76.16
Molecular Formula	C3H8S
Canonical SMILES	CCCS
InChI	InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3
InChI Key	SUVIGLJNEAMWEG-UHFFFAOYSA-N
Boiling Point	153 °F at 760 mm Hg (USCG, 1999);67.8 °C;67.8 °C;68 °C;153°F
Melting Point	-171 °F (USCG, 1999);-113.3 °C;Mp -113.3 °;-113.3 °C;-113.3°C;-113 °C;-172°F
Flash Point	5 °F (USCG, 1999);-5 °F; -20.5 °C;-20 °C;-5°F
Density	0.841 at 68 °F (USCG, 1999);d254 0.84;0.843 g/cu cm at 20 °C;Relative density (water = 1): 0.84;0.842-0.847;0.84
Solubility	Slight (NIOSH, 2016);0.02 M;1.9 mg/mL at 25 °C;Miscible in ethanol, ether; very soluble in acetone;SOL IN PROPYLENE GLYCOL;Soluble in ethanol, ether, acetone, benzene;In water, 1.90X10+3 mg/L at 25 °C;1.9 mg/mL at 25 °C;Solubility in water, g/100ml at 25 °C: 0.190;soluble in water, alcohol, propylene glycol and oils;Slight
EC Number	203-455-5
LogP	1.81 (LogP);1.81;log Kow = 1.81;1.81;1.7 (estimated)
Refractive Index	n25D 1.4351;Index of refraction: 1.4380 @ 20 °C/D;1.438
Vapor Density	Relative vapor density (air = 1): 2.63
Vapor Pressure	155 mm Hg at 77 °F (NIOSH, 2016);154.21 mmHg;154.2 mm Hg at 25 °C /Extrapolated/;Vapor pressure, kPa at 25 °C: 20.7 (calculated);(77°F): 155 mmHg

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