Basic information
- CAS
1955-33-5- Standard SMILES
CCC=CCC=CCC=CCCCCCCCC(=O)O- InChIKey
DTOSIQBPPRVQHS-UHFFFAOYSA-N- Molecular formula
- C18H30O2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.2245802
Overview
alpha-Linolenic acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Names & identifiers
- Preferred name
- Linseed Acid
- IUPAC
- octadeca-9,12,15-trienoic acid
- English name
- octadeca-9,12,15-trienoic acid
- Molecular formula
- C18H30O2
- Molecular weight
- 278.43
Names & synonyms
Octadeca-9,12,15-trienoic acidLinseed acid1955-33-59,12,15-Octadecatrienoic acidRefChem:799239alpha-LnnA-Linolenic?-Linolenic acid-d5|A-LnnCBiol_001952KBioGR_000096KBioSS_000096
Show more names
Einecs 217-792-0Octadeca-9,12,15-triensuredelta9,12,15-Octadecatrienoic acidcis-9,cis-12,cis-15 Octadecadienoic acid
SCHEMBL157389orb12222459,12,15-octadecatrienic acid9,12,15-octadectrienoic acidCHEMBL3560296DTXSID7075058SCHEMBL28717163KBio2_000096
Database identifiers
- CAS
1955-33-5- PubChem CID
- 860
- DTXSID
DTXSID7075058- ChEMBL
CHEMBL3560296- EC Number
- 217-792-0
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Linseed Acid) -> CIR (Cosmetic Ingredient Review)
Emulsifying; Surfactant; Emollient; Cleansing
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 443.376 · 443.376±0.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.925 · 0.925±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 4.778 · 4.778±0.10(predicted)
- EPA Substance Registry System
- 9 · 9,12,15-Octadecatrienoic acid (1955-33-5)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Linseed Acid
Use ClassificationCosmetics -> Emulsifying; Surfactant; Emollient; Cleansing
Suppliers3 total
Alfa Chemistry1-516-6625404 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: Elaidolinolenic acid is an octadecatrienoic acid.
Related reactions
4 records
Compound notes
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