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1-Hexanethiol Structure

1-Hexanethiol

Chemical Properties

Melting point -81 °C
Boiling point 152 °C
Density  0.84
refractive index  1.45
FEMA  3842 | 1-HEXANETHIOL
Flash point 30 °C
storage temp.  Flammables area
pka 10.55±0.10(Predicted)
form  clear liquid
color  Colorless to Almost colorless
Specific Gravity 0.842 (20/4℃)
Odor at 0.10 % in propylene glycol. burnt fat sulfury meaty fatty garlic roasted burnt
Odor Type burnt
Odor Threshold 0.000015ppm
Water Solubility  insoluble
Sensitive  Air Sensitive
JECFA Number 518
BRN  1731295
Henry's Law Constant 5.2×10-4 mol/(m3Pa) at 25℃, Plyasunova et al. (2004)
Exposure limits NIOSH: Ceiling 0.5 ppm(2.7 mg/m3)
Dielectric constant 4.4400000000000004
InChI 1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
InChIKey PMBXCGGQNSVESQ-UHFFFAOYSA-N
SMILES CCCCCCS
LogP 3.37
CAS DataBase Reference 111-31-9(CAS DataBase Reference)
NIST Chemistry Reference 1-Hexanethiol(111-31-9)
EPA Substance Registry System 1-Hexanethiol (111-31-9)

Safety Information

Hazard Codes  Xn
Risk Statements  10-20/22
Safety Statements  23-24/25-16
RIDADR  UN 1228 3/PG 2
OEL Ceiling: 0.5 ppm (2.7 mg/m3) [15-minute]
WGK Germany  3
RTECS  MO4550000
F  13
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  2930909099
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Oral
Flam. Liq. 3

MSDS

Usage And Synthesis

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