111-31-9

Name 1-Hexanethiol
CAS 111-31-9
EINECS(EC#) 203-857-0
Molecular Formula C6H14S
MDL Number MFCD00004909
Molecular Weight 118.24
MOL File 111-31-9.mol

Chemical Properties

Appearance clear coloreless liquid
Melting point  -81--80 °C (lit.)
Boiling point  150-154 °C (lit.)
density  0.84
FEMA  3842
refractive index  n20/D 1.4482(lit.)
Fp  69 °F
storage temp.  Flammables area
form  Liquid
pka 10.55±0.10(Predicted)
color  Clear colorless to yellow
Specific Gravity 0.842 (20/4℃)
Odor at 0.10 % in propylene glycol. burnt fat sulfury meaty fatty garlic roasted burnt
Odor Threshold 0.000015ppm
Odor Type burnt
Water Solubility  insoluble
Sensitive  Air Sensitive
Detection Methods GC
JECFA Number 518
BRN  1731295
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
Uses
Intermediate, synthetic rubber processing. See thiol.
CAS DataBase Reference 111-31-9(CAS DataBase Reference)
NIST Chemistry Reference 1-Hexanethiol(111-31-9)
Storage Precautions Air sensitive;Store under nitrogen
EPA Substance Registry System 1-Hexanethiol (111-31-9)

Safety Data

Hazard Codes  Xn
Risk Statements 
R10:Flammable.
R20/22:Harmful by inhalation and if swallowed .
Safety Statements 
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S16:Keep away from sources of ignition-No smoking .
OEL Ceiling: 0.5 ppm (2.7 mg/m3) [15-minute]
RIDADR  UN 1228 3/PG 2
WGK Germany  3
RTECS  MO4550000
F  13
TSCA  Yes
HazardClass  3
PackingGroup  III
HS Code  29309090
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Oral
Flam. Liq. 3

Raw materials And Preparation Products

Hazard Information

Material Safety Data Sheet(MSDS)

Well-known Reagent Company Product Information

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