Basic information
- CAS
2462-85-3- Standard SMILES
CCCCCC=CCC=CCCCCCCCC(=O)OC- InChIKey
WTTJVINHCBCLGX-UHFFFAOYSA-N- Molecular formula
- C19H34O2
- Average molar mass
- 294.5 g/mol
- Monoisotopic mass
- 294.25588033
Overview
Methyl octadeca-9,12-dienoate has been reported in Pourthiaea arguta, Streptomyces piomogenus, and other organisms with data available.
Names & identifiers
- Preferred name
- Methyl 9,12-octadecadienoate
- IUPAC
- methyl octadeca-9,12-dienoate
- English name
- methyl octadeca-9,12-dienoate
- Molecular formula
- C19H34O2
- Molecular weight
- 294.47
Names & synonyms
Methyl octadeca-9,12-dienoateMethyl 9,12-octadecadienoate2462-85-3DTXSID80859199RefChem:1089527DTXCID80809674219-560-4Linolelaidic acid methyl esterMethyl cis,cis-9,12-octadecadienoate9,12-Octadecadienoicacid, methyl esterSCHEMBL8132669,12-Octadecadienoic acid, methyl ester
Show more names
Einecs 219-560-4Methyl9,12-octadecadienoateMethyloctadeca-9,12-dienoat9,12-Octadecadienoic acid methylOctadeca-9,12-dienoic acid methyl ester
METHYLLINOLEATE9,12-octadecadienoic acid methyl esterLinolelaidic acid methylorb1222858WTTJVINHCBCLGX-UHFFFAOYSA-Ns57599,12-Octadecenoic acid, methyl esterDB-041105
Database identifiers
- CAS
2462-85-3- PubChem CID
- 8203
- DTXSID
DTXSID80859199- EC Number
- 219-560-4
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 279
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- -35.05 °C · -35.05°C
- Boiling point
- 376.23 °C · 376.23°C (rough estimate)
- Density
- 0.8886 · 0.8886
- refractive index
- 1.4638 · 1.4638
Safety & regulation
Toxicology
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Chemistry & industry
Suppliers3 total
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Additional notes
DefinitionChEBI: Methyl linolelaidate is a fatty acid methyl ester.
Related reactions
1 records
Compound notes
Loading…