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Isobutylmercaptan Structure

Isobutylmercaptan

Chemical Properties

Melting point -145°C
Boiling point 87-89 °C(lit.)
Density  0.831 g/mL at 25 °C(lit.)
vapor density  3.1 (vs air)
vapor pressure  124 mm Hg ( 37.8 °C)
FEMA  3874 | 2-METHYL-1-PROPANETHIOL
refractive index  n20/D 1.4385(lit.)
Flash point 15 °F
solubility  H2O: slightly soluble
form  liquid
pka 10.41±0.10(Predicted)
color  Colorless to Light yellow
Odor at 0.10 % in propylene glycol. cooked vegetable mustard
Odor Type sulfurous
biological source synthetic
Odor Threshold 0.0000068ppm
Water Solubility  H2O: slightly soluble
alcohol: very soluble
diethyl ether: very soluble
JECFA Number 512
Merck  14,5147
BRN  1730890
InChI 1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChIKey BDFAOUQQXJIZDG-UHFFFAOYSA-N
SMILES CC(C)CS
LogP 2.18
CAS DataBase Reference 513-44-0(CAS DataBase Reference)
NIST Chemistry Reference 1-Propanethiol, 2-methyl-(513-44-0)
EPA Substance Registry System 1-Propanethiol, 2-methyl- (513-44-0)

Safety Information

Hazard Codes  F,Xi
Risk Statements  11-36/37/38
Safety Statements  16-26-36
RIDADR  UN 2347 3/PG 2
WGK Germany  3
RTECS  TZ7630000
13
TSCA  TSCA listed
HazardClass  3.1
PackingGroup  II
HS Code  29309090
Storage Class 3 - Flammable liquids
Hazard Classifications Eye Irrit. 2
Flam. Liq. 2
Skin Irrit. 2
STOT SE 3

MSDS

Usage And Synthesis

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