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)

refractive index 

n20/D 1.4432(lit.)

FEMA 

3858 | 3-METHYLBUTANETHIOL

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

biological source

synthetic

Odor Threshold

0.00000077ppm

Sensitive 

Air Sensitive

JECFA Number

513

BRN 

635659

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)

Safety Information

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

MSDS

• Language:English Provider:3-Methyl-1-butanethiol
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

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(541-31-1)Related Product Information

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