3-Methyl-2-butanethiol

Base Information

• Chemical Name: 3-Methyl-2-butanethiol
• CAS No.: 2084-18-6
• Deprecated CAS: 110503-17-8
• Molecular Formula: C5H12S
• Molecular Weight: 104.216
• Hs Code.: 29309090
• European Community (EC) Number: 218-223-9
• UN Number: 1993
• UNII: JE3PR84J0B
• DSSTox Substance ID: DTXSID40862826
• Nikkaji Number: J95.392J
• Wikidata: Q27281466
• Metabolomics Workbench ID: 47241
• Mol file: 2084-18-6.mol

Synonyms:3-Methyl-2-butanethiol;2084-18-6;3-Methylbutane-2-thiol;2-Butanethiol, 3-methyl-;3-methyl-2-butane thiol;FEMA No. 3304;3-Methyl-2-butylthiol;EINECS 218-223-9;JE3PR84J0B;UNII-JE3PR84J0B;n-trimethylsilyldimethylamine;3-Methyl-2-butyl Mercaptan;SCHEMBL24505;1,2-Dimethylpropyl hydrosulfide;FEMA 3304;DTXSID40862826;CHEBI:173327;1,2-Dimethylpropyl hydrosulfide #;3-Methyl-2-butanethiol, >=98%;MFCD00039648;AKOS009157818;LS-2906;3-METHYL-1-BUTANETHIOL [FHFI];(+/-)-3-METHYL-2-BUTANETHIOL;FT-0634024;M2141;EN300-95058;D91580;Q27281466

Chemical Property of 3-Methyl-2-butanethiol

Chemical Property:

• Appearance/Colour: UN 3336 3/PG 2
• Vapor Pressure: 36.7mmHg at 25°C
• Melting Point: -109.95°C (estimate)
• Refractive Index: n20/D 1.444(lit.)
• Boiling Point: 103.8 °C at 760 mmHg
• PKA: 10.85±0.10(Predicted)
• Flash Point: 8.9 °C
• PSA: 38.80000
• Density: 0.827 g/cm³
• LogP: 1.96070
• Sensitive.: Air Sensitive
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 104.06597156
• Heavy Atom Count: 6
• Complexity: 32.9

Purity/Quality:

99% ^*data from raw suppliers

3-Methyl-2-butanethiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 11
• Safety Statements: 16-33-36-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)C(C)S
• 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.
• Uses: Polymerization modifier, insecticide intermediate, vulcanization accelerator intermediate, nonionic surface-active agent.

Technology Process of 3-Methyl-2-butanethiol

There total 1 articles about 3-Methyl-2-butanethiol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2-amino-3-methylbutane (598-74-3) → 3-methyl-2-butene-1-thiol (2084-18-6)

Guidance literature:

With hydrogen sulfide; at 300 ℃; under 75.006 Torr; Further Variations:; Pressures; Temperatures; Kinetics;

DOI:10.1016/j.jcat.2003.12.013

Reference yield: 90.0%

3-methyl-2-butene-1-thiol (2084-18-6) + 1-methyl-1-phenylethyl alcohol (617-94-7) → 3-methylbutan-2-yl 2-phenylpropan-2-yl sulfide

Guidance literature:

With indium(III) triflate; In nitromethane; at 20 ℃; for 0.5h; chemoselective reaction; Sealed tube;

DOI:10.1002/ejoc.201701007

Reference yield: 76.0%

3-methyl-2-butene-1-thiol (2084-18-6) + carbon monoxide (201230-82-2) + 4-Phenylbut-1-ene (768-56-9) → S-(3-methylbutan-2-yl) 5-phenylpentanethioate

Guidance literature:

With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4-tert-Butylcatechol; (5-(tert-butylsulfinyl)-2,2-dimethylbenzo[d][1,3]dioxol-4yl)diisopropylphosphane; toluene-4-sulfonic acid; In chloroform; at -5 ℃; for 24h;

DOI:10.1021/acs.orglett.1c00406

upstream raw materials:

2-amino-3-methylbutane

Refernces