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3-Methyl-2-butanethiol Structure

3-Methyl-2-butanethiol

Chemical Properties

Melting point -109.95°C (estimate)
Boiling point 109-112 °C(lit.)
Density  0.841 g/mL at 25 °C(lit.)
refractive index  n20/D 1.444(lit.)
FEMA  3304 | 3-METHYL-2-BUTANETHIOL
Flash point 60 °F
form  liquid (estimate)
pka 10.85±0.10(Predicted)
color  Colorless to Almost colorless
Odor at 0.10 % in propylene glycol. repulsive beefy meaty
Odor Type sulfurous
biological source synthetic
Sensitive  Air Sensitive
JECFA Number 517
Henry's Law Constant 1.5×10-3 mol/(m3Pa) at 25℃, Yaws et al. (2003)
Major Application flavors and fragrances
InChI 1S/C5H12S/c1-4(2)5(3)6/h4-6H,1-3H3
InChIKey BFLXFRNPNMTTAA-UHFFFAOYSA-N
SMILES CC(C)C(C)S
LogP 2.47
CAS DataBase Reference 2084-18-6(CAS DataBase Reference)
NIST Chemistry Reference 2-Butanethiol, 3-methyl-(2084-18-6)
EPA Substance Registry System 2-Butanethiol, 3-methyl- (2084-18-6)

Safety Information

Hazard Codes  F
Risk Statements  11
Safety Statements  16-33-36-24/25
RIDADR  UN 3336 3/PG 2
WGK Germany  3
TSCA  TSCA listed
HazardClass  3
PackingGroup  II
HS Code  29309090
Storage Class 3 - Flammable liquids
Hazard Classifications Flam. Liq. 2

MSDS

Usage And Synthesis

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