Allyl N-hexyl sulfide

Base Information

• Chemical Name: Allyl N-hexyl sulfide
• CAS No.: 18365-70-3
• Molecular Formula: C9H18 S
• Molecular Weight: 158.308
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID30426653
• Nikkaji Number: J683.555D
• Wikidata: Q82239504
• Mol file: 18365-70-3.mol

Synonyms:ALLYL N-HEXYL SULFIDE;1-prop-2-enylsulfanylhexane;ALLYL N-HEXYL SULPHIDE;18365-70-3;Allylhexyl sulfide;3-hexylthio-1-propene;SCHEMBL5376754;DTXSID30426653;AKOS006228474;1-(PROP-2-EN-1-YLSULFANYL)HEXANE;FT-0622031

Chemical Property of Allyl N-hexyl sulfide

Chemical Property:

• Vapor Pressure: 0.305mmHg at 25°C
• Refractive Index: 1.465
• Boiling Point: 208.6°C at 760 mmHg
• Flash Point: 68.9°C
• PSA: 25.30000
• Density: 0.85g/cm³
• LogP: 3.48590
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 158.11292175
• Heavy Atom Count: 10
• Complexity: 69.1

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s): R36/38:Irritating to eyes and skin.
• Hazard Codes: R36/38:Irritating to eyes and skin.
• Statements: R36/38:Irritating to eyes and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36:Wear suitable prot

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCSCC=C

Technology Process of Allyl N-hexyl sulfide

There total 12 articles about Allyl N-hexyl sulfide 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: 89.0%

Hexanethiol (111-31-9) + Allyl acetate (591-87-7) → allyl n-hexyl sulfide (18365-70-3)

Guidance literature:

With [Ir(1,5-cyclooctadiene)2]PF₆; In toluene; at 100 ℃; for 24h;

DOI:10.1021/jo049828k

Reference yield: 78.0%

C6H13O3S2(1-)*Na(1+) (41051-08-5) + allyl bromide (106-95-6) → allyl n-hexyl sulfide (18365-70-3)

Guidance literature:

With indium; In tetrahydrofuran; water; 1.) room temperature, 3 h, 2.) 55 deg C, 18 h;

DOI:10.1080/00397919808005104

Reference yield: 66.0%

dihexyl disulfide (10496-15-8) + allylsamarium bromide (346713-20-0) → allyl n-hexyl sulfide (18365-70-3)

Guidance literature:

In tetrahydrofuran; for 2h; Heating;

upstream raw materials:

Hexanethiol

allyl bromide

dihexyl disulfide

C₆H₁₃O₃S₂^(1-)*Na⁽¹⁺⁾

Downstream raw materials:

Hexanethiol

hexyl-propyl sulfide

Refernces

• 1、 Xu, Xiaofei,Li, Chang,Tao, Zhihao,Pan, Yuanjiang. "Aqueous hemin catalyzed sulfonium ylide formation and subsequent [2,3]-sigmatropic rearrangements". supporting information. p. 1245 - 1249. Retrieved 2017/08/15.
• 2、 -. "Process for producing allyl-containing compounds". Page 9. . Retrieved 2008/06/13.