1-Butanethiol

Catalog	ACM109795
CAS	109-79-5
Structure
Category	Environmental Standards
Description	Butyl mercaptan appears as a clear, colorless liquid with a strong skunk-like odor. Flash point in range -18 to 43°F. Less dense than water and slightly soluble in water. Vapors heavier than air.;Liquid;Liquid;COLOURLESS-TO-YELLOW LIQUID WITH CHARACTERISTIC ODOUR.;colourless to pale yellow liquid with garlic or skunk-like odour;pale yellow liquid;Colorless liquid with a strong, garlic-, cabbage-, or skunk-like odor.;Colorless liquid with a strong, garlic-, cabbage-, or skunk-like odor.
Synonyms	Butanethiol
IUPAC Name	butane-1-thiol
Molecular Weight	90.19
Molecular Formula	C4H10S
Canonical SMILES	CCCCS
InChI	InChI=1S/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3
InChI Key	WQAQPCDUOCURKW-UHFFFAOYSA-N
Boiling Point	229.3 °F at 760 mm Hg (USCG, 1999);98.5 °C;97.2 - 101.7 °C;98 °C;209°F;209°F
Melting Point	-176.2 °F (USCG, 1999);-115.7 °C;Fp -119 °;-115.9 °C;-119°C;-116 °C;176.2°F;-176°F
Flash Point	55 °F (USCG, 1999);35 °F (2 °C) (Closed cup);2 °C c.c.;55°F;35°F
Density	0.841 at 68 °F (USCG, 1999);d254 0.84;0.83679 at 25 °C/4 °C;Relative density (water = 1): 0.83;0.842-0.847;1.050-1.055;0.83;0.83
Solubility	0.06 % (NIOSH, 2016);0.01 M;0.597 mg/mL at 20 °C;Slightly soluble in chloroform;Very soluble in alcohol, ether, liquid hydrogen sulfide;In water, 595 mg/L at 25 °C;0.597 mg/mL at 20 °C;Solubility in water, g/100ml: 0.06;0.6 g in 100 ml water; slightly soluble in oils;1 ml in 1 ml 95% alcohol (in ethanol);slightly soluble in water; soluble in n-hexane;0.06%
Application	1-Butanethiol, also known as butyl mercaptan, is a volatile, highly flammable liquid that appears clear to yellowish in color. It is characterized by its extremely strong and foul odor, reminiscent of garlic, cabbage, or skunk, making it detectable in the air at very low concentrations. The primary purpose of 1-butanethiol is to serve as a solvent and an intermediate in the production of insecticides and herbicides. Additionally, its potent odor makes it useful as a gas odorant, allowing for the easy detection of gas leaks.
EC Number	203-705-3
LogP	2.28 (LogP);2.28;log Kow = 2.28;2.28;2.28
Refractive Index	n25D 1.4403;MAX ABSORPTION (ISOOCTANE): 225-230 NM (LOG E= 2.20); INDEX OF REFRACTION: 1.4440 @ 20 °C/D;Index of refraction = 1.4440 at 20 °C/D;1.444-1.452;1.503-1.513
Vapor Density	3.1 (Air = 1);Relative vapor density (air = 1): 3.1
Vapor Pressure	35 mm Hg (NIOSH, 2016);45.52 mmHg;45.5 mm Hg at 25 °C;Vapor pressure, kPa at 20 °C: 4.0;35 mmHg;35 mmHg

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