3-Methyl-1-butanethiol

3-Methyl-1-butanethiol Basic information

Product Name:	3-Methyl-1-butanethiol
Synonyms:	FEMA 3858;ISOAMYL MERCAPTAN;ISOPENTANETHIOL;isoamylthiol;Isopentyl mercaptan;Isopentylmercaptan;isopentylthiol;mercaptanisopentylique
CAS:	541-31-1
MF:	C5H12S
MW:	104.21
EINECS:	208-774-3
Product Categories:	thiol Flavor
Mol File:	541-31-1.mol

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.)
Fp	65 °F
storage temp.	Flammables area
solubility	soluble in Chloroform
form	Liquid
pka	10.41±0.10(Predicted)
color	Clear colorless to slightly yellow
Odor	at 0.10 % in propylene glycol. sulfurous onion green onion garlic
Odor Threshold	0.00000077ppm
Odor Type	sulfurous
Sensitive	Air Sensitive
JECFA Number	513
BRN	635659
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)

Safety Information

MSDS Information

3-Methyl-1-butanethiol Usage And Synthesis

Chemical Properties	clear colorless to slightly yellow liquid
Occurrence	Reported present in beer
Uses	3-Methyl-1-butanethiol, is a versatile organic building block in the synthesis of sulfur containnig pharmaceutical compounds. It is used in the synthesis of some poly(alkylene glycol dithiophosphates) with functional groups in the S-alkyl radical, possessing long-lasting anthelminthic and antibacterial properties. It is also shown to be one of the flavor components from beef, pork, and chicken
Definition	ChEBI: Isopentyl mercaptan is an alkanethiol.
Aroma threshold values	Detection: 0.002 ppb

3-Methyl-1-butanethiol Preparation Products And Raw materials

Raw materials	Thiocyanic acid 3-methylbutyl ester-->1,1'-sulphinylbis[3-methylbutane]-->DIISOAMYL DISULFIDE-->Ethylmagnesium bromide-->1-CHLORO-3-METHYLBUTANE-->ISOPROPYLMAGNESIUM BROMIDE-->1-Bromo-3-methylbutane-->3-Methyl-1-butanol-->Isovaleraldehyde
Preparation Products	DIISOPENTYL SULFIDE-->Naphthalene

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