ChemicalBook Product Catalog Flavors and fragrances Synthetic fragrances Thiols spices 3-Methyl-1-butanethiol

3-Methyl-1-butanethiol

Chemical Properties

Melting point	-133.51°C
Boiling point	120 °C
Density	0.835 g/mL at 25 °C(lit.)
vapor pressure	41.4 mm Hg ( 37.7 °C)
FEMA	3858 \| 3-METHYLBUTANETHIOL
refractive index	n20/D 1.4432(lit.)
Flash point	65 °F
storage temp.	Flammables area
solubility	soluble in Chloroform
pka	10.41±0.10(Predicted)
form	Liquid
color	Clear colorless to slightly yellow
Odor	at 0.10 % in propylene glycol. sulfurous onion green onion garlic
Odor Type	sulfurous
Odor Threshold	0.00000077ppm
biological source	synthetic
Sensitive	Air Sensitive
JECFA Number	513
BRN	635659
Henry's Law Constant	9.5×10^-4 mol/(m³Pa) at 25℃, Plyasunova et al. (2004)
Major Application	flavors and fragrances
InChI	1S/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
InChIKey	GIJGXNFNUUFEGH-UHFFFAOYSA-N
SMILES	CC(C)CCS
LogP	2.67
CAS DataBase Reference	541-31-1(CAS DataBase Reference)
NIST Chemistry Reference	1-Butanethiol, 3-methyl-(541-31-1)
EPA Substance Registry System	1-Butanethiol, 3-methyl- (541-31-1)

Hazard Codes	F,Xi,Xn
Risk Statements	11-36/37/38-20/21/22
Safety Statements	16-26-36-36/37/39
RIDADR	UN 1228 3/PG 2
WGK Germany	3
TSCA	TSCA listed
HazardClass	3
PackingGroup	II
HS Code	29309090
Storage Class	3 - Flammable liquids
Hazard Classifications	Eye Irrit. 2 Flam. Liq. 2 Skin Irrit. 2 STOT SE 3