8-Methyldecanoic acid

Base Information

• Chemical Name: 8-Methyldecanoic acid
• CAS No.: 5601-60-5
• Molecular Formula: C11H22 O2
• Molecular Weight: 186.29
• UNII: EV00F6FM94
• DSSTox Substance ID: DTXSID20863578
• Nikkaji Number: J1.243.496K
• Wikidata: Q81986337
• Metabolomics Workbench ID: 252
• Mol file: 5601-60-5.mol

Synonyms:8-methyldecanoic acid

Chemical Property of 8-Methyldecanoic acid

Chemical Property:

• Vapor Pressure: 0.000557mmHg at 25°C
• Refractive Index: 1.4221 (estimate)
• Boiling Point: 289.3°Cat760mmHg
• Flash Point: 154.2°C
• PSA: 37.30000
• Density: 0.908g/cm³
• LogP: 3.45770
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 186.161979940
• Heavy Atom Count: 13
• Complexity: 132

Purity/Quality:

97%+ ^*data from raw suppliers

8-METHYLDECANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)CCCCCCC(=O)O

Technology Process of 8-Methyldecanoic acid

There total 13 articles about 8-Methyldecanoic 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: 87.0%

→ (±)-8-methyldecanoic acid (5601-60-5)

Guidance literature:

Reference yield: 77.0%

ethyl 8-methyldecanoate → (±)-8-methyldecanoic acid (5601-60-5)

Guidance literature:

With sodium hydroxide; In methanol; water; for 3h;

DOI:10.1021/acs.joc.9b01938

Reference yield:

bulbimidazole A → (±)-8-methyldecanoic acid (5601-60-5)

Guidance literature:

With sodium periodate; ruthenium(III) trichloride hydrate; water; In tetrachloromethane; aq. phosphate buffer; acetonitrile; at 20 ℃; for 18h; pH=7.6;

DOI:10.1021/acs.jnatprod.0c00082

upstream raw materials:

8-methyldecanoic acid methyl ester

7-Oxo-8-methyl-decansaeure

ethyl thiophen-2-ylacetate

iso-butyl chloroformate

Refernces

• 1、 Akasaka, Kazuaki,Harunari, Enjuro,Igarashi, Yasuhiro,Karim, Md. Rokon Ul,Oku, Naoya. "Bulbimidazoles A-C, Antimicrobial and Cytotoxic Alkanoyl Imidazoles from a Marine Gammaproteobacterium Microbulbifer Species". . . Retrieved 2020/03/30.
• 2、 Hedenstroem, Erik,Nguyen, Ba-Vu,Silks III, Louis A.. "Do enzymes recognise remotely located stereocentres? Highly enantioselective Candida rugosa lipase-catalysed esterification of the 2- to 8-methyldecanoic acids". . p. 835 - 844. Retrieved 2007/10/03.