Basic information
- CAS
7361-80-0- Standard SMILES
CCC=CCC=CCC=CCCCCCCCC(=O)OC- InChIKey
DVWSXZIHSUZZKJ-UHFFFAOYSA-N- Molecular formula
- C19H32O2
- Average molar mass
- 292.5 g/mol
- Monoisotopic mass
- 292.24023026
Overview
methyl octadeca-9,12,15-trienoate has been reported in Mikania goyazensis, Solanum tuberosum, and other organisms with data available.
Names & identifiers
- Preferred name
- 9,12,15-Octadecatrienoic acid, methyl ester, (9Z,12Z,15Z)-
- IUPAC
- methyl octadeca-9,12,15-trienoate
- English name
- Methyl linolenate
- Molecular formula
- C19H32O2
- Molecular weight
- 292.46
Names & synonyms
methyl octadeca-9,12,15-trienoate7361-80-09,12,15-Octadecatrienoic acid, methyl ester, (9Z,12Z,15Z)-Linolenic acid methyl ester9,12,15-Octadecatrienoicacid, methyl ester9Z,12Z,15Z-Octadecatrienoic acid methyl esterSCHEMBL2984579DTXSID0085931352717-35-8AKOS028109386NCI60_004707Methyl cis,cis,cis-9,12,15-octadecatrienoate
Show more names
FEMA 3411Methyl linolenateALFA-METHYL LINOLENATEMETHYLOCTADECATRIENOATEMethyl 9,12,15-octadecatrienoateC18:3 (ALL CIS-9,12,15) METHYL ESTERMethyl (9E,12E,15E)-9,12,15-octadecatrienoateALL CIS-9,12,15-OCTADECATRIENOIC ACID METHYL ESTER
52717-34-7
Database identifiers
- CAS
7361-80-0
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 314
Physicochemical properties
- Boiling point
- 182 °C3 · 182 °C3 mm Hg(lit.)
- Density
- 0.895 g/mL · 0.895 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.470(lit.)
- FEMA
- 3411 · 3411 | METHYL LINOLEATE (48%) METHYL LINOLENATE (52%) MIXTURE
- storage temp.
- 2 · 2-8°C
- Odor
- 100 % · at 100.00 %. bland
- Odor Type
- oily
- LogP
- 7.119 · 7.119 (est)
- Safety Statements
- 24 · 24/25
- WGK Germany
- 1 · 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 1
- safety_code
- 24/25
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海问彩新材料科技有限公司15721586846 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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