2-Butanethiol

Base Information

• Chemical Name: 2-Butanethiol
• CAS No.: 513-53-1
• Deprecated CAS: 91840-99-2
• Molecular Formula: C4H10S
• Molecular Weight: 90.1894
• Hs Code.: 29309070
• European Community (EC) Number: 208-165-2
• NSC Number: 78417
• UN Number: 2347
• UNII: Y2D731QBYN
• DSSTox Substance ID: DTXSID1041396
• Nikkaji Number: J2.791J,J2.622K
• Wikidata: Q27294175
• ChEMBL ID: CHEMBL3183438
• Mol file: 513-53-1.mol

Synonyms:2-Butanethiol;513-53-1;butane-2-thiol;SEC-BUTYL MERCAPTAN;2-Butyl mercaptan;2-Mercaptobutane;sec-Butanethiol;sec-Butyl thiol;1-Methyl-1-propanethiol;sec-Butyl thioalcohol;secondary Butylmercaptan;2-Butylmercaptan;NSC 78417;UNII-Y2D731QBYN;Y2D731QBYN;DTXSID1041396;HSDB 1610;EINECS 208-165-2;NSC-78417;2-Butylthiol;sec-butylmercaptan;sec-Butyl mecaptan;1-methylpropanethiol;sec-C4H9SH;sec.-Butyl thioalcohol;(+-)-2-Butanethiol;1-methyl-1-propanthiol;2-Butanethiol, 98%;sec-Butyl hydrosulfide #;2-Butanethiol, >=98%;1-methyl-1-propyl mercaptan;3-METHYL-2-PROPANETHIOL;CHEMBL3183438;DTXCID9021396;SEC-BUTYL MERCAPTAN [MI];SEC-BUTYL MERCAPTAN [HSDB];NSC78417;2-BUTANETHIOL, (+/-)-;Tox21_301086;MFCD00004865;AKOS000120417;AKOS017278348;NCGC00248283-01;NCGC00254987-01;CAS-513-53-1;B0686;FT-0657876;EN300-20452;Q27294175;Methyl-1-propanethiol, 1-;(sec-Butyl mercaptan;2-Butanethiol);91840-99-2

Chemical Property of 2-Butanethiol

Chemical Property:

• Appearance/Colour: Colorless liquid with unpleasant smell
• Vapor Pressure: 74.1mmHg at 25°C
• Melting Point: -140ºC
• Refractive Index: 1.436 - 1.437
• Boiling Point: 86.595 °C at 760 mmHg
• Flash Point: 21.111 °C
• PSA: 38.80000
• Density: 0.828 g/cm³
• LogP: 1.71470
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 90.05032149
• Heavy Atom Count: 5
• Complexity: 19.6

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F:Flammable;;
• Statements: R11:; R36/37/38:
• Safety Statements: S16:; S26:; S36:

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Thiols
• Canonical SMILES: CCC(C)S

Technology Process of 2-Butanethiol

There total 24 articles about 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:

2,2-bis-ethylsulfanyl-butane (7309-01-5) → 1-methyl-1-propanethiol (513-53-1,91840-99-2) + sec-butyl ethyl sulfide (5008-72-0)

Guidance literature:

at 150 - 175 ℃; unter Druck_.Hydrogenation;

Reference yield:

s-butyl bromide (78-76-2,5787-31-5) → 1-methyl-1-propanethiol (513-53-1,91840-99-2)

Guidance literature:

With ethanol; potassium hydrosulfide;

Reference yield:

cadusafos (95465-99-9) → 1-methyl-1-propanethiol (513-53-1,91840-99-2)

Guidance literature:

With methanol; 5,5'-dithiobis-(2-nitrobenzoic acid); Sphingobium sp. TCM₁ phosphotriesterase; manganese(ll) chloride; In aq. buffer; at 30 ℃; pH=8; Enzymatic reaction;

DOI:10.1021/acs.biochem.5b01144

upstream raw materials:

3,5-diethyl-3,5-dimethyl-[1,2,4]trithiolane

O,O-bis(sec-butyl) hydrogen dithiophosphate

butene-2

2-butyl iodide

Downstream raw materials:

thioacetic acid S-(1-methylpropyl) ester

sec-butyl sulfide

sec-butyl ethyl sulfide

sec-butyl disulfide

Refernces

• 1、 -. "COPPER PROTECTIVE AGENT". Paragraph 0039-0040. . Retrieved 2019/05/24.
• 2、 Ayers, Joshua T.,Anderson, Shelby R.. "A preparative scale reduction of alkyl disulfides with tributyl phosphine and water". . p. 351 - 358. Retrieved 2007/10/03.