9-Oxodecanoic acid

Base Information

• Chemical Name: 9-Oxodecanoic acid
• CAS No.: 1422-26-0
• Molecular Formula: C10H18 O3
• Molecular Weight: 186.251
• DSSTox Substance ID: DTXSID60161969
• Nikkaji Number: J206.118J
• Wikidata: Q83030449
• Metabolomics Workbench ID: 1556
• Mol file: 1422-26-0.mol

Synonyms:9-OXODECANOIC ACID;1422-26-0;Decanoic acid, 9-oxo-;9-Oxocapric acid;9-oxo-decanoic acid;9-oxodecanoicacid;9-oxo capric acid;Decanoic acid, 9-oxo-| CAS#;9-Ketocapric acid;SCHEMBL2347855;DTXSID60161969;CHEBI:180136;LMFA01060033;MFCD01937864;AKOS006277146;AS-57438;LS-59376;CS-0361175;A929291

Chemical Property of 9-Oxodecanoic acid

Chemical Property:

• Vapor Pressure: 2.02E-05mmHg at 25°C
• Melting Point: 47.5-48.5 °C
• Boiling Point: 337°Cat760mmHg
• PKA: 4.77±0.10(Predicted)
• Flash Point: 171.8°C
• PSA: 54.37000
• Density: 1.004g/cm³
• LogP: 2.39070
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 186.125594432
• Heavy Atom Count: 13
• Complexity: 164

Purity/Quality:

99% ^*data from raw suppliers

9-OXODECANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCCCCCCC(=O)O

Technology Process of 9-Oxodecanoic acid

There total 28 articles about 9-Oxodecanoic 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: 63.0%

diethyl 2-acetylnonanedioate (35513-23-6) → 9-oxodecanoic acid (1422-26-0)

Guidance literature:

With sodium hydroxide; In ethanol; at 20 ℃; for 5h;

Reference yield: 48.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + methyl vinyl ketone (78-94-4,25038-87-3) → 2,12-Tridecanedione (73154-83-3) + 9-oxodecanoic acid (1422-26-0)

Guidance literature:

With perchloric acid; titanium(III) chloride; dihydrogen peroxide; Yield given. Multistep reaction; 3.) acetone, room temp., 2 h;

DOI:10.1055/s-1980-29201

Reference yield: 24.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + methyl vinyl ketone (78-94-4,25038-87-3) → 9-oxodecanoic acid (1422-26-0)

Guidance literature:

In acetone; at -78 ℃; 0 deg C;

DOI:10.1021/jo00289a040

upstream raw materials:

undec-10-en-2-one

9-oxo-decanenitrile

11-hydroxyundecanoic acid

dec-9-enoic acid

Downstream raw materials:

9-hydroxydecanoic acid

(S)-(+)-phoracantholide I

azelaic acid

carbon tetrabromide

Refernces

• 1、 Naoshima, Yoshinobu,Hasegawa, Hidenobu,Nishiyama, Tadashi,Nakamura, Akihiro. "Synthesis of Both the Enantiomers of Phoracantholide I; A Defensive Secretion of the Eucarypt Longicorn (Phoracantha synonyma), Employing Microbial Asymmetric Reduction with Immobilized Baker's Yeast". . p. 608 - 610. Retrieved 1989.
• 2、 -. "Taste modifiers". . . Retrieved 2016/11/21.
• 3、 -. "Oxidation catalytic system and oxidation process using the same". . . Retrieved 2008/06/13.