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2-Propanethiol Structure

2-Propanethiol

Chemical Properties

Melting point −131 °C(lit.)
Boiling point 57-60 °C(lit.)
Density  0.82 g/mL at 25 °C(lit.)
vapor density  2.6 (vs air)
vapor pressure  455 mm Hg ( 37.8 °C)
refractive index  n20/D 1.426(lit.)
FEMA  3897 | 2-PROPANETHIOL
Flash point <−30 °F
storage temp.  Store below +30°C.
pka pK1:10.86 (25°C,μ=0.1)
form  Liquid
color  Colorless
Odor Powerful skunk.
Odor Threshold 0.000006ppm
Odor Type alliaceous
biological source synthetic
Water Solubility  Slightly soluble in water
Specific Heat Capacity Cp(liquid): 1.91 J/(g·K), at 25℃
Sensitive  Air Sensitive
JECFA Number 510
BRN  605260
Henry's Law Constant 1.3×10-3 mol/(m3Pa) at 25℃, Brockbank (2013)
Stability Stable. Highly flammable - note low flashpoint. May form explosive mixtures with air.
InChI 1S/C3H8S/c1-3(2)4/h3-4H,1-2H3
InChIKey KJRCEJOSASVSRA-UHFFFAOYSA-N
SMILES CC(C)S
LogP 1.60
CAS DataBase Reference 75-33-2(CAS DataBase Reference)
NIST Chemistry Reference 2-Propanethiol(75-33-2)
EPA Substance Registry System Isopropyl mercaptan (75-33-2)

Safety Information

Hazard Codes  F,Xi
Risk Statements  11-36/37/38-36/38
Safety Statements  16-26-9-37/39-33
RIDADR  UN 2402 3/PG 2
WGK Germany  3
RTECS  TZ7302000
13
TSCA  TSCA listed
HS Code  2930 90 98
HazardClass  3
PackingGroup  II
Storage Class 3 - Flammable liquids
Hazard Classifications Aquatic Acute 1
Aquatic Chronic 1
Flam. Liq. 2
Skin Sens. 1
Hazardous Substances Data 75-33-2(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: > 2000 mg/kg

MSDS

Usage And Synthesis

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