Allyl ethyl sulfide

Base Information

• Chemical Name: Allyl ethyl sulfide
• CAS No.: 5296-62-8
• Molecular Formula: C5H10 S
• Molecular Weight: 102.19
• Hs Code.: 2930909090
• European Community (EC) Number: 633-415-6
• DSSTox Substance ID: DTXSID10201001
• Nikkaji Number: J391.936F
• Wikidata: Q83074192
• Mol file: 5296-62-8.mol

Synonyms:Allyl ethyl sulfide;5296-62-8;3-ethylsulfanylprop-1-ene;4-thia-1-hexene;1-Propene-1-one, 3-(ethylthio)-;3-(ethylsulfanyl)prop-1-ene;Allyl ethylsulfide;allyl(ethyl)sulfane;Allyl ethyl sulphide;3-Ethylthio-1-propene;CH2=CHCH2SC2H5;SCHEMBL576607;ALPHA-FLUOROCINNAMICACID;DTXSID10201001;NOJXPGXFDASWEI-UHFFFAOYSA-N;MFCD00026979;AKOS006228795;FT-0613374;EN300-1842242

Chemical Property of Allyl ethyl sulfide

Chemical Property:

• Vapor Pressure: 22.2mmHg at 25°C
• Refractive Index: 1.4680
• Boiling Point: 115.8°Cat760mmHg
• Flash Point: 15.5°C
• PSA: 25.30000
• Density: 0.85g/cm³
• LogP: 1.92550
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 102.05032149
• Heavy Atom Count: 6
• Complexity: 32.9

Purity/Quality:

99% ^*data from raw suppliers

ALLYL ETHYL SULFIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R11:Highly flammable.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R11:Highly flammable.; R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 11-36/37/38
• Safety Statements: 16-23-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCSCC=C

Technology Process of Allyl ethyl sulfide

There total 14 articles about Allyl ethyl 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: 87.0%

C6H10O2S → allyl ethyl sulfide (5296-62-8)

Guidance literature:

With pentamethylcyclopentadienyl bis(triphenylphosphine)ruthenium(II) chloride; In 1,2-dichloro-ethane; at 50 ℃; for 1h;

DOI:10.1039/c8ra04783a

Reference yield: 72.0%

allyl bromide (106-95-6) + ethanethiol (75-08-1) → allyl ethyl sulfide (5296-62-8)

Guidance literature:

With sodium methylate; In methanol; 0 deg C, 1 h; 25 deg C, overnight;

DOI:10.1246/bcsj.57.2781

Reference yield: 40.0%

triethylallyltin (24857-04-3) + ethanethiol (75-08-1) → allyl ethyl sulfide (5296-62-8) + 1,3-Bis-(triaethylstannyl)-propan (16256-96-5) + Triethyl-(3-ethylsulfanyl-propyl)-stannane (75875-64-8)

Guidance literature:

at 45 ℃; for 10h; Product distribution; Irradiation;

upstream raw materials:

allyl bromide

sodium thioethylate

(Z)-ethyl prop-1-enyl sulfide

(E)-ethyl prop-1-enyl sulfide

Downstream raw materials:

3-(ethylsulfonyl)prop-1-ene

15-(tert-Butyl-diphenyl-silanyloxy)-17-ethylsulfanyl-16-hydroxy-nonadec-18-enoic acid methyl ester

(2-Allyl-phenoxy)-trimethyl-silan

propene

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、 Deryagina,Korchevin,Papernaya. "New Synthetic Routes to Unsymmetrical Diorganyl Sulfides". . p. 812 - 815. Retrieved 2007/10/03.