Butyl disulfide

Base Information

• Chemical Name: Butyl disulfide
• CAS No.: 629-45-8
• Molecular Formula: C8H18S2
• Molecular Weight: 178.363
• Hs Code.: 29309070
• European Community (EC) Number: 211-091-3
• NSC Number: 36626
• UNII: Z77EF35C0Q
• DSSTox Substance ID: DTXSID8060874
• Nikkaji Number: J43.516C
• Wikidata: Q26840789
• Metabolomics Workbench ID: 43910
• Mol file: 629-45-8.mol

Synonyms:Butyldisulfide (6CI,8CI);5,6-Dithiadecane;Di-n-butyl disulfide;Dibutyl disulfide;NSC 36626;n-Butyl disulfide;Butyl Disulfide;

Chemical Property of Butyl disulfide

Chemical Property:

• Appearance/Colour: clear colourless to very slightly brown liquid
• Vapor Pressure: 52 mm Hg ( 37.7 °C)
• Melting Point: -94 °C
• Refractive Index: n20/D 1.492(lit.)
• Boiling Point: 226 °C at 760 mmHg
• Flash Point: 93.3 °C
• PSA: 50.60000
• Density: 0.946 g/cm³
• LogP: 3.96800
• Storage Temp.: 2-8°C
• Water Solubility.: Immiscible
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 178.08499292
• Heavy Atom Count: 10
• Complexity: 47.2

Purity/Quality:

98% ^*data from raw suppliers

ButylDisulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-7/9-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCSSCCCC

Technology Process of Butyl disulfide

There total 154 articles about Butyl disulfide 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: 85.0%

n-butanethiol (109-79-5) + bis-phenoxymethyl ether (3807-05-4) → Dibutyl sulfide (544-40-1) + dibutyl disulfide (629-45-8) + bis<(n-butylthio)methyl> ether (62609-74-9)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 150 ℃; for 5h;

DOI:10.1021/jo00348a003

Reference yield: 80.0%

α,α-bis(butylthio)toluene (7315-50-6) → dibutyl disulfide (629-45-8) + benzaldehyde (100-52-7)

Guidance literature:

With water; 1-fluoro-2,4,6-trimethylpyridinium trifluoromethanesulfonate; In tetrahydrofuran; dichloromethane; at 23 ℃; Mechanism; other acyclic dithioacetal (R=Ph);

DOI:10.1016/S0040-4020(01)80359-8

Reference yield: 76.0%

S-butyl O-butyl dithiocarbonate (10226-07-0) → Dibutyl sulfide (544-40-1) + dibutyl disulfide (629-45-8) + S,S-Di(n-butyl) dithiocarbonate (55716-09-1)

Guidance literature:

Aliquat 336; at 100 ℃; for 1.5h; Yields of byproduct given;

DOI:10.1055/s-1981-29371

upstream raw materials:

1-bromo-butane

tetrachloromethane

sodium 1-buthanethiolate

vinyl acetate

Downstream raw materials:

1,2-bis-butylsulfanyl-1-phenyl-ethane

butyl methyl disulfide

4-butyldisulfanyl-3-nitro-benzoic acid

n-butyl methyl sulfide

Refernces

• 1、 Mori,K.,Nakamura,Y.. "". . p. 3041 - 3042. Retrieved 1971.
• 2、 Kandror,Freidlina. "Rearrangement of radicals with migration of the chlorine atom from sulfur to carbon during the reaction of thiols with vinylsulfonyl chloride". . p. 1814 - 1816. Retrieved 1975.
• 3、 Bradshaw et al.. "". . p. 2381. Retrieved 1972.
• 4、 An, Shuyi,Guo, Zhifen,Liu, Xin,Che, Yan,Xing, Hongzhu,Chen, Peng. "Visible-light-responsive lanthanide coordination polymers for highly efficient photocatalytic aerobic oxidation of amines and thiols". . p. 15767 - 15775. Retrieved 2021/09/22.
• 5、 Bhattacherjee, Debojit,Sufian, Abu,Mahato, Sulendar K.,Begum, Samiyara,Banerjee, Kaustav,De, Sharmistha,Srivastava, Hemant Kumar,Bhabak, Krishna P.. "Trisulfides over disulfides: Highly selective synthetic strategies, anti-proliferative activities and sustained H2S release profiles". supporting information. p. 13534 - 13537. Retrieved 2019/11/14.