1-Hexanethiol

Catalog	ACM111319
CAS	111-31-9
Structure
Category	Environmental Standards
Description	N-hexanethiol is a colorless liquid with an unpleasant odor. Mp: -81°C; bp: 152-153°C. Density 0.838 g cm-3 (at 25°C).;Liquid;COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.;colourless liquid with earthy odour;Colorless liquid with an unpleasant odor.
Synonyms	Hexyl mercaptan
IUPAC Name	hexane-1-thiol
Molecular Weight	118.24
Molecular Formula	C6H14S
Canonical SMILES	CCCCCCS
InChI	InChI=1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChI Key	PMBXCGGQNSVESQ-UHFFFAOYSA-N
Boiling Point	304 °F at 760 mm Hg (NIOSH, 2016);151.0 °C;151 °C;304°F
Melting Point	-113 °F (NIOSH, 2016);-81.0 °C;Mp -81 °;-81°C;-113°F
Flash Point	68 °F (NIOSH, 2016);30 °C;68°F
Density	0.84 (NIOSH, 2016);d 0.84;Relative density (water = 1): 0.84;0.824-0.835;0.84
Solubility	Insoluble (NIOSH, 2016);Solubility in water: none;soluble in oil and alcohol;Insoluble
EC Number	203-857-0
LogP	5.35
Refractive Index	nD 1.4482;1.444-1.452
Vapor Density	Relative vapor density (air = 1): 5.04
Vapor Pressure	4.20 mmHg;Vapor pressure, kPa at 40 °C: 0.16

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