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
FLAVIS Number 12.049 | 3-Methylbutane-2-thiol
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)
Substances Added to Food (formerly EAFUS) 3-METHYL-2-BUTANETHIOL
FDA UNII JE3PR84J0B
NIST Chemistry Reference 2-Butanethiol, 3-methyl-(2084-18-6)
EPA Substance Registry System 2-Butanethiol, 3-methyl- (2084-18-6)
UNSPSC Code 12164502
NACRES NA.21

Safety

Symbol(GHS) Flame (GHS02)Exclamation Mark (GHS07)
Signal wordDanger
Hazard statements H302-H332-H335-H315-H319-H225
Precautionary statements P261-P280g-P305+P351+P338-P403+P233-P210-P233-P240-P241+P242+P243-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
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
NFPA 704:
3
2 0

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3-Methyl-2-butanethiol Chemical Properties,Usage,Production

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