3-Methylbutane-1-thiol

Base Information

• Chemical Name: 3-Methylbutane-1-thiol
• CAS No.: 541-31-1
• Molecular Formula: C5H12S
• Molecular Weight: 104.216
• Hs Code.: 29309090
• European Community (EC) Number: 208-774-3
• UNII: MMK4SUN45E
• DSSTox Substance ID: DTXSID3060247
• Nikkaji Number: J8.667C
• Wikidata: Q27284115
• Metabolomics Workbench ID: 46268
• Mol file: 541-31-1.mol

Synonyms:3-Methyl-1-butanethiol;Isoamyl mercaptan;3-Methylbutane-1-thiol;541-31-1;Isopentyl mercaptan;1-Butanethiol, 3-methyl-;3-Methylbutanethiol;Isopentanethiol;Isoamyl sulfhydrate;isoamylmercaptan;2-Methyl-4-butanethiol;3-Methyl-1-butylthiol;UNII-MMK4SUN45E;MMK4SUN45E;C5H12S;EINECS 208-774-3;ISOAMYLTHIOL;isopentylthiol;3-methylbutylthiol;Isoamyl thioalcohol;Thioisoamyl alcohol;3-methyl-l-butanethiol;1-Mercapto-3-methylbutane;3- Mmethyl-1-Butanethiol;SCHEMBL23698;3-METHYLBUTYL MERCAPTAN;3-Methyl-1-butanethiol, 97%;DTXSID3060247;FEMA NO. 3858;FEMA 3858;GIJGXNFNUUFEGH-UHFFFAOYSA-;CHEBI:173324;3-METHYLBUTANETHIOL [FHFI];3-Methyl-1-butanethiol, >=97%;BBL027486;MFCD00004899;STL373476;AKOS015897470;VS-08548;(4-METHOXYBIPHENYL-3-YL)-METHANOL;FT-0627317;I0149;EN300-93820;D91090;A829979;W-105672;Q27284115

Chemical Property of 3-Methylbutane-1-thiol

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 41.4 mm Hg ( 37.7 °C)
• Melting Point: -133.51°C
• Refractive Index: n20/D 1.4432(lit.)
• Boiling Point: 114.8 °C at 760 mmHg
• PKA: 10.41±0.10(Predicted)
• Flash Point: 18.3 °C
• PSA: 38.80000
• Density: 0.83 g/cm³
• LogP: 1.96230
• Storage Temp.: Flammables area
• Sensitive.: Air Sensitive
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 104.06597156
• Heavy Atom Count: 6
• Complexity: 25.1

Purity/Quality:

99% ^*data from raw suppliers

3-Methyl-1-butanethiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F, Xn
• Hazard Codes: F,Xi,Xn
• Statements: 11-36/37/38-20/21/22
• Safety Statements: 16-26-36-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CCS

Technology Process of 3-Methylbutane-1-thiol

There total 39 articles about 3-Methylbutane-1-thiol 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:

diisoamyl disulfide (2051-04-9) + 1,2,3,4-tetrahydro-1,1,6-trimethylnaphthalene (475-03-6) → methane (34557-54-5,27936-85-2) + 1,6-dimethylnaphthalene (575-43-9) + 3-methylbutanethiol (541-31-1)

Guidance literature:

at 250 - 260 ℃;

DOI:10.1021/ja01290a075

Reference yield:

thiocarbamic acid S-isopentyl ester (856986-52-2) + ammonia (7664-41-7) → 3-methylbutanethiol (541-31-1) + urea (57-13-6)

Guidance literature:

Reference yield:

1-thio-allophanic acid S-isopentyl ester → methylammonium carbonate (15719-64-9,15719-76-3,97762-63-5) + 3-methylbutanethiol (541-31-1) + urea (57-13-6)

Guidance literature:

upstream raw materials:

tetralin

diisoamyl disulfide

i-Amyl alcohol

1-chloro-3-methylbutane

Refernces

• 1、 Rad, M. N. Soltani,Maghsoudi. "Two-step three-component process for one-pot synthesis of 8-alkylmercaptocaffeine derivatives". . p. 70335 - 70342. Retrieved 2016/08/06.
• 2、 -. "Preparation of azacycloalkyloxy-substituted pyrazines, oxadiazoles, and related compounds as muscarinic and nicotinic cholinergic agents.". . . Retrieved 2008/06/13.