Methyl 12-oxooctadecanoate - CAS 2380-27-0
Catalog: |
BB018191 |
Product Name: |
Methyl 12-oxooctadecanoate |
CAS: |
2380-27-0 |
Synonyms: |
Octadecanoic acid, 12-oxo-, methyl ester; 12-Oxostearic acid, methyl ester; Methyl 12-ketostearate; Methyl 12-oxostearate; 12-Oxostearate methyl ester |
IUPAC Name: | methyl 12-oxooctadecanoate |
Description: | Methyl 12-oxooctadecanoate is a long-chain keto fatty acid methyl ester, primarily used in research and chemical synthesis. It has been reported to have potential applications in treating hyperlipidemia and ulcers. |
Molecular Weight: | 312.49 |
Molecular Formula: | C19H36O3 |
Canonical SMILES: | CCCCCCC(=O)CCCCCCCCCCC(=O)OC |
InChI: | InChI=1S/C19H36O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h3-17H2,1-2H3 |
InChI Key: | XVSPEBNRFAFNAV-UHFFFAOYSA-N |
Boiling Point: | 394.6±15.0 °C at 760 mmHg |
Melting Point: | 45-46 °C |
Purity: | 95% |
Density: | 0.912±0.06 g/cm3 |
Solubility: | Soluble in Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Light brown solid |
Storage: | Store at -20 °C |
MDL: | MFCD00012224 |
LogP: | 5.59990 |
Publication Number | Title | Priority Date |
CN-110770205-A | Production process of long-chain amino acid and dibasic acid | 20170712 |
EP-3652149-A1 | Process for producing long chain acids and dibasic acids | 20170712 |
US-10053416-B1 | Process for producing long chain amino acids and dibasic acids | 20170712 |
WO-2019013954-A1 | PROCESS FOR THE PRODUCTION OF ACIDS AND LONG CHAIN DIACIDES | 20170712 |
JP-2020526544-A | Methods for Producing Long Chain Amino Acids and Dibasic Acids | 20170712 |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 312.26644501 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 312.26644501 |
Rotatable Bond Count: | 17 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.1 |
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