2084-18-6

Basic information

• Product Name: 3-Methyl-2-butanethiol
• Synonyms: 3-Methyl-2-butanethiol, 95%, remainder mainly 2-methyl-1-butanethiol;3-Methyl-2-butanethiol >=98.0%;3-Methyl-2-butyl Mercaptan;3-Methyl-butyl-2-thiol;1,2-Dimethylpropyl hydrosulfide;2-butanethiol,3-methyl-;3-methyl-2-Butanethio;FEMA 3304
• CAS NO: 2084-18-6
• Molecular Formula: C₅H₁₂S
• Molecular Weight: 104.21
• EINECS: 218-223-9
• Product Categories: thiol Flavor;Alphabetical Listings;Flavors and Fragrances;M-N
• Mol File: 2084-18-6.mol
• Article Data: 1

Chemical Properties

• Melting Point: -109.95°C (estimate)
• Boiling Point: 109-112 °C(lit.)
• Flash Point: 60 °F
• Appearance: /liquid (estimate)
• Density: 0.841 g/mL at 25 °C(lit.)
• Vapor Pressure: 36.7mmHg at 25°C
• Refractive Index: n20/D 1.444(lit.)
• PKA: 10.85±0.10(Predicted)
• Sensitive: Air Sensitive
• CAS DataBase Reference: 3-Methyl-2-butanethiol(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Methyl-2-butanethiol(2084-18-6)
• EPA Substance Registry System: 3-Methyl-2-butanethiol(2084-18-6)

Safety Data

• Hazard Codes: F
• Statements: 11
• Safety Statements: 16-33-36-24/25
• RIDADR: UN 3336 3/PG 2
• WGK Germany: 3
• TSCA: Yes
• HazardClass: 3
• PackingGroup: II
• Hazardous Substances Data: 2084-18-6(Hazardous Substances Data)

Usage

Description

3-Methyl-2-butanethiol has a repulsive, characteristic mercaptanlike odor. Prepared from isoamyl chloride and potassium sulfhydrate; also the corresponding sodium salt can be prepared from diisopentyl-disulfide and sodium metal in liquid ammonia.

Chemical Properties

Different sources of media describe the Chemical Properties of 2084-18-6 differently. You can refer to the following data:
1. 3-Methyl-1-butanethiol has a repulsive, characteristic mercaptan-like odor.
2. Colorless liquid; offensive odor.Insoluble in water; soluble in organic solvents.

Occurrence

Reported found in cooked beef.

Uses

Polymerization modifier, insecticide intermediate, vulcanization accelerator intermediate, nonionic surface-active agent.

Preparation

From isoamyl chloride and potassium sulfhydrate; also, the corresponding sodium salt can be prepared from diisopentyldisulfide and sodium metal in liquid ammonia.

Hazard

Flammable, dangerous fire risk.

InChI:InChI=1/C5H12S/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1

Upstream product

• 598-74-3 2-amino-3-methylbutane 

Relevant articles and documents

Mechanisms of the hydrodenitrogenation of alkylamines with secondary and tertiary α-carbon atoms on sulfided NiMo/Al2O3

The HDN of alkylamines with secondary and tertiary α-carbon atoms (2-pentylamine, 3-methyl-2-butylamine, 3,3-dimethyl-2-butylamine, 2-methylcyclohexylamine, 2-methyl-2-butylamine) and benzylamine and the HDS of corresponding alkanethiols were studied over sulfided NiMo/Al2O3. Alkanethiols and dialkylamines were primary products in the HDS of the amines with secondary products, formed from elimination and hydrogenolysis of the alkanethiols, as confirmed by the similar alkenes/alkane ratios in the HDN of the alkylamines and HDS of the corresponding alkanethiols. 2-Methyl-2-butylamine and benzylamine reacted much faster than the amines with secondary α-carbon atoms. Methylbutenes and methylbutane were the primary products of 2-methyl-2-butylamine, and toluene was the primary product of benzylamine. This and the different methylbutenes/methylbutane ratios in the HDS of 2-methyl-2-butylamine and HDS of 2-methyl-2-butanethiol indicated that 2-methyl-2-butylamine, with a tertiary α-carbon atom, and the activated benzylamine reacted by means of an E1 mechanism. The substitution of the NH2 group by H2S led to an alkanethiol and NH3 and, thus, to total denitrogenation. Substitution by an amine led to a dialkylamine and NH3 and to 50% nitrogen removal. High partial pressures of H2S and alkylamine increased the rate of transformation of alkylamine to alkanethiol and thus, of denitrogenation. However, the rate of sulfur removal from the alkanethiol decreased.