Allyl propyl disulfide

Base Information

• Chemical Name: Allyl propyl disulfide
• CAS No.: 2179-59-1
• Molecular Formula: C6H12S2
• Molecular Weight: 148.293
• Hs Code.: 2930909090
• European Community (EC) Number: 218-550-7
• ICSC Number: 1422
• UN Number: 1993
• UNII: 0167D73R1T
• DSSTox Substance ID: DTXSID8024448
• Nikkaji Number: J34.822H
• Wikipedia: Allyl_propyl_disulfide
• Wikidata: Q4348232
• Metabolomics Workbench ID: 46275
• ChEMBL ID: CHEMBL3187351
• Mol file: 2179-59-1.mol

Synonyms:allyl propyl disulfide

Chemical Property of Allyl propyl disulfide

Chemical Property:

• Appearance/Colour: Clear pale yellow liquid with a pungent odor
• Vapor Pressure: 1.35mmHg at 25°C
• Melting Point: -15 °C
• Refractive Index: 1.517
• Boiling Point: 178.2 °C at 760 mmHg
• Flash Point: 54.4 °C
• PSA: 50.60000
• Density: 0.984 g/cm³
• LogP: 2.96380
• Storage Temp.: Refrigerator
• Water Solubility.: Insoluble.
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 148.03804273
• Heavy Atom Count: 8
• Complexity: 52.5
• Transport DOT Label: Combustible Liquid

Purity/Quality:

99% ^*data from raw suppliers

Allyl Propyl Disulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: CCCSSCC=C
• Inhalation Risk: A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract.

Technology Process of Allyl propyl disulfide

There total 5 articles about Allyl propyl 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: 32.0%

propyl thiocyanate (4251-16-5) + Propadienethione (83797-23-3) → ALLYL-PROPYL-DISULFIDE (2179-59-1)

Guidance literature:

With triethylamine; In N,N-dimethyl-formamide; at -2 - 0 ℃; for 0.5h;

Reference yield:

Diethyl disulfide (110-81-6) + dibenzyl disulphide (150-60-7) + diallyl disulphide (2179-57-9) + Dimethyldisulphide (624-92-0) + Dipropyl disulfide (629-19-6) → ethyl methyl disulfide (20333-39-5) + methyl n-propyl disulfide (2179-60-4) + ethyl propyl disulfide (30453-31-7) + ALLYL-PROPYL-DISULFIDE (2179-59-1) + allyl ethyl disulfide (72437-63-9) + n-propyl phenyl disulfide (21230-16-0) + 1-benzyl-2-propyldisulfane (27657-11-0) + ALLYL-METHYL-DISULFIDE (2179-58-0) + 1-benzyl-2-methyldisulfide (699-10-5) + 1-allyl-2-benzyldisulfane

Guidance literature:

With tricyclohexylphosphine; In dimethyl sulfoxide; at 20 ℃;

DOI:10.1039/b815710c

Reference yield:

diallyl disulphide (2179-57-9) + Dipropyl disulfide (629-19-6) → ALLYL-PROPYL-DISULFIDE (2179-59-1)

Guidance literature:

With copper dichloride; In acetonitrile; at 25 ℃;

DOI:10.1039/c5gc00754b

upstream raw materials:

propyl thiocyanate

Propadienethione

1-thiopropane

prop-2-ene-1-thiol

Downstream raw materials:

formic acid

carbonic-acid

oxalic acid

acetic acid

Refernces

• 1、 Caraballo, Remi,Rahm, Martin,Vongvilai, Pornrapee,Brinck, Tore,Ramstroem, Olof. "Phosphine-catalyzed disulfide metathesis". scheme or table. p. 6603 - 6605. Retrieved 2009/04/20.
• 2、 Amosova, S. V.,Nosyreva, V. V.,Miptakhova, L. M.,Klimchuk, A. F.,Sigalov, M. V.. "REARRANGEMENT OF ALKYL ALLYL DISULFIDES IN THE SYSTEM KOH-DMSO". . p. 1249 - 1251. Retrieved 2007/10/02.