1-Pentanethiol

Catalog	ACM110667
CAS	110-66-7
Structure
Category	Environmental Standards
Description	Amyl mercaptan appears as a clear colorless to light-yellow liquid with an offensive odor. Flash point 65°F. Less dense than water and insoluble in water. Hence floats on water. Vapors are heavier than air. May be toxic by inhalation.;Liquid;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;Colourless liquid; Meaty aroma;Water-white to yellowish liquid with a strong, garlic-like odor.
Synonyms	Pentyl mercaptan
IUPAC Name	pentane-1-thiol
Molecular Weight	104.22
Molecular Formula	C5H12S
Canonical SMILES	CCCCCS
InChI	InChI=1S/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChI Key	ZRKMQKLGEQPLNS-UHFFFAOYSA-N
Boiling Point	248 °F at 760 mm Hg (USCG, 1999);126.6 °C;126.6 °C;at 61.3kPa: 126.6 °C;260°F
Melting Point	-105 °F (USCG, 1999);-75.7 °C;-75.7 °C;-75.69 °C;-75.7°C;-75.7 °C;-104°F
Flash Point	65 °F (USCG, 1999);18 °C (64 °F) - closed cup;65 °F (18 °C) (Open cup);18 °C;(oc) 65°F
Density	0.8392 at 77 °F (USCG, 1999);0.850 g/cu cm at 20 °C;Relative density (water = 1): 0.84;0.831-0.844;0.84
Solubility	Insoluble (NIOSH, 2016);0.00 M;0.156 mg/mL at 20 °C;In water, 156 mg/L at 20 °C;In water, 156 mg/L at 25 °C;Insoluble in water;Miscible with ethanol, ether;0.156 mg/mL at 20 °C;Solubility in water: none;Sparingly soluble in water;Soluble (in ethanol);Insoluble
EC Number	203-789-1
LogP	log Kow = 2.74 (est)
Refractive Index	Index of refraction: 1.4499 at 20 °C/D;1.441-1.450
Stability	Stable under recommended storage conditions.
Vapor Density	3.59 (Air = 1);Relative vapor density (air = 1): 3.6
Vapor Pressure	14 mm Hg at 77 °F (NIOSH, 2016);13.80 mmHg;13.8 mm Hg at 25 °C;Vapor pressure, kPa at 25 °C: 1.84;(77°F): 14 mmHg

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