4-Keto stearic acid

Base Information

• Chemical Name: 4-Keto stearic acid
• CAS No.: 16694-30-7
• Molecular Formula: C18H34 O3
• Molecular Weight: 298.466
• Hs Code.: 2918300090
• UNII: FF7M4A94KY
• DSSTox Substance ID: DTXSID10168206
• Nikkaji Number: J49.491G
• Wikidata: Q83037748
• Metabolomics Workbench ID: 2277
• ChEMBL ID: CHEMBL5080946
• Mol file: 16694-30-7.mol

Synonyms:4-Oxooctadecanoic acid;4-Ketostearic acid;4-keto stearic acid;16694-30-7;Stearic acid, 4-oxo-;4-oxo-octadecanoic acid;Octadecanoic acid, 4-oxo-;BRN 1712856;FF7M4A94KY;Octadecanoic acid, 4-oxo- (7CI,8CI,9CI);4-03-00-01687 (Beilstein Handbook Reference);Octadecanoic acid, 4-oxo;UNII-FF7M4A94KY;SCHEMBL337368;CHEMBL5080946;DTXSID10168206;CHEBI:179236;LMFA02000241;LS-146688

Chemical Property of 4-Keto stearic acid

Chemical Property:

• Vapor Pressure: 1.62E-08mmHg at 25°C
• Melting Point: 97°C
• Refractive Index: 1.4200 (estimate)
• Boiling Point: 427.8°Cat760mmHg
• Flash Point: 226.7°C
• PSA: 54.37000
• Density: 0.94g/cm³
• LogP: 5.51150
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 16
• Exact Mass: 298.25079494
• Heavy Atom Count: 21
• Complexity: 261

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCC(=O)CCC(=O)O

Technology Process of 4-Keto stearic acid

There total 16 articles about 4-Keto stearic 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: 98.0%

methyl 4-oxooctadecanoate (2380-19-0) → 4-oxooctadecanoic acid (16694-30-7)

Guidance literature:

With potassium hydroxide; In methanol; at 20 ℃; for 20h;

DOI:10.3987/COM-95-7293

Reference yield: 71.0%

4-oxooctadecyl benzoate → 4-oxooctadecanoic acid (16694-30-7)

Guidance literature:

4-oxooctadecyl benzoate; With sodium hydroxide; In 1,4-dioxane; water;

With Jones reagent; In acetone; at 0 - 20 ℃; for 1h;

DOI:10.1021/acs.jmedchem.0c02058

Reference yield:

→ 4-oxooctadecanoic acid (16694-30-7)

Guidance literature:

With nickel kieselguhr; at 80 - 115 ℃; under 51485.6 Torr; Hydrogenation_.folgende Verseifung;

upstream raw materials:

4-oxo-octadeca-9t,11t,13t-trienoic acid

4-hydroxy-octadecanoic acid

3-oxo-heptadecanoic acid methyl ester

chloroacetic acid ethyl ester

Downstream raw materials:

(3R,7aS)-3-phenyl-7a-tetradecyltetrahydro-5H-pyrrolo<2,1-b>oxazol-5(6H)-one

stearic acid

succinic acid

(R)-2-Phenyl-2-((R)-2-tetradecyl-pyrrolidin-1-yl)-ethanol