7-Methyl-6-oxooctanoic acid

Base Information

• Chemical Name: 7-Methyl-6-oxooctanoic acid
• CAS No.: 59210-01-4
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• Hs Code.: 2918300090
• DSSTox Substance ID: DTXSID80415618
• Wikidata: Q82224554
• Metabolomics Workbench ID: 1642
• Mol file: 59210-01-4.mol

Synonyms:7-methyl-6-oxooctanoic acid;59210-01-4;7-methyl-6-oxo-octanoic acid;MFCD02260881;7-METHYL-6-OXOOCTANOICACID;LMFA01060157;SCHEMBL11517217;DTXSID80415618;CHEBI:179520;AKOS006277750;MS-21163

Chemical Property of 7-Methyl-6-oxooctanoic acid

Chemical Property:

• Vapor Pressure: 8.87E-05mmHg at 25°C
• Boiling Point: 316.2°C at 760 mmHg
• Flash Point: 159.3°C
• PSA: 54.37000
• Density: 1.017g/cm³
• LogP: 1.85650
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

96% ^*data from raw suppliers

7-Methyl-6-oxooctanoicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=O)CCCCC(=O)O

Technology Process of 7-Methyl-6-oxooctanoic acid

There total 3 articles about 7-Methyl-6-oxooctanoic acid 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:

→ Adipic acid (124-04-9) + 7-methyl-6-oxooctanoic acid (59210-01-4)

Guidance literature:

With potassium permanganate;

Reference yield:

2-isobutyrylcyclopentanone (59210-11-6) → 7-methyl-6-oxooctanoic acid (59210-01-4)

Guidance literature:

With sodium hydroxide; for 1h; Yield given; Heating;

DOI:10.1055/s-1989-27414

Reference yield:

→ 7-methyl-6-oxooctanoic acid (59210-01-4)

Guidance literature:

With ozone; acetic acid;

upstream raw materials:

2-isobutyrylcyclopentanone

Downstream raw materials:

Nordihydrocapsaicin

isononoic acid

Adipic acid

Refernces

• 1、 Kaga, Harumi,Miura, Masakatsu,Orito, Kazuhiko. "A Short Route to Dihydrocapsaicinoids". . p. 864 - 866. Retrieved 2007/10/02.