7-Octen-2-one

Base Information

• Chemical Name: 7-Octen-2-one
• CAS No.: 3664-60-6
• Molecular Formula: C8H14O
• Molecular Weight: 126.199
• Hs Code.: 2914190090
• DSSTox Substance ID: DTXSID30190105
• Nikkaji Number: J99.958J
• Wikidata: Q27159749
• Mol file: 3664-60-6.mol

Synonyms:oct-7-en-2-one;7-OCTEN-2-ONE;3664-60-6;SCHEMBL514535;CHEBI:87581;DTXSID30190105;AKOS006324121;EN300-247829;Q27159749

Chemical Property of 7-Octen-2-one

Chemical Property:

• Vapor Pressure: 0.423mmHg at 25°C
• Boiling Point: 195.3°Cat760mmHg
• Flash Point: 62.3°C
• PSA: 17.07000
• Density: 0.825g/cm³
• LogP: 2.32180
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 94.7

Purity/Quality:

97% ^*data from raw suppliers

Oct-7-en-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Aliphatic Ketones, Other
• Canonical SMILES: CC(=O)CCCCC=C

Technology Process of 7-Octen-2-one

There total 3 articles about 7-Octen-2-one 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: 28.0%

1,2-epoxy-7-octene (52485-73-1,105205-70-7,126872-17-1,19600-63-6) → 7-octene-2-one (3664-60-6) + oct-7-enal (21573-31-9) + 2,7-octadien-3-ol

Guidance literature:

With magnesium bromide; In N,N-dimethyl-formamide; at 130 ℃; for 0.5h;

Reference yield: 21.0%

1,2-epoxy-7-octene (52485-73-1,105205-70-7,126872-17-1,19600-63-6) → 7-octene-2-one (3664-60-6) + oct-7-enal (21573-31-9) + 2,7-octadiene-1-ol (62179-18-4,79972-62-6,23578-51-0)

Guidance literature:

With magnesium bromide; In N,N-dimethyl-formamide; at 130 ℃; for 0.166667h;

Reference yield:

3-acetylcyclohexanone (15040-97-8) → 7-octene-2-one (3664-60-6) + 3-cyclohexenyl-2-ethanone (7353-76-6,62393-63-9,84049-10-5,109583-33-7) + Cyclohexyl methyl ketone (823-76-7)

Guidance literature:

With hydrogenchloride; mercury; zinc; for 0.583333h; Title compound not separated from byproducts; Heating;

DOI:10.1071/CH9951827

upstream raw materials:

3-acetylcyclohexanone

1,2-epoxy-7-octene

Downstream raw materials:

cis-1-(2-methylcyclopentyl)ethanone

trans-1-(2-methylcyclopentyl)ethanone

oct-7-en-2-ol

cis-1,2-dimethylcyclohexanol