1-Hexanethiol Structure

1-Hexanethiol

Chemical Properties

Melting point -81--80 °C (lit.)
Boiling point 150-154 °C (lit.)
Density  0.832 g/mL at 25 °C
FEMA  3842 | 1-HEXANETHIOL
refractive index  n20/D 1.4482(lit.)
FLAVIS Number 12.132 | Hexane-1-thiol
Flash point 69 °F
storage temp.  Flammables area
form  Liquid
pka 10.55±0.10(Predicted)
Specific Gravity 0.842 (20/4℃)
color  Clear colorless to yellow
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)
Dielectric constant 4.4400000000000004
Exposure limits NIOSH: Ceiling 0.5 ppm(2.7 mg/m3)
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)
Substances Added to Food (formerly EAFUS) 1-HEXANETHIOL
EWG's Food Scores 2
FDA UNII 1KH2129A0Q
NIST Chemistry Reference 1-Hexanethiol(111-31-9)
EPA Substance Registry System 1-Hexanethiol (111-31-9)
UNSPSC Code 85151701
NACRES NA.24

Safety

Symbol(GHS) GHS hazard pictogramsGHS hazard pictograms
Signal wordWarning
Hazard statements H226-H302
Precautionary statements P210-P301+P312+P330-P370+P378
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
13
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  29309090
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Oral
Flam. Liq. 3
NFPA 704:
3
2 0

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1-Hexanethiol Chemical Properties,Usage,Production

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