Basic information
- CAS
156952-79-3- Standard SMILES
CCCCCCCCC=CCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC- InChIKey
HWRYIWKGLJIMLG-UHFFFAOYSA-N- Molecular formula
- C38H74O2
- Average molar mass
- 563 g/mol
- Monoisotopic mass
- 562.5688816
Names & identifiers
- Preferred name
- Octadec-9-enyl icosanoate
- IUPAC
- octadec-9-enyl icosanoate
- English name
- OLEYL ARACHIDATE
- Molecular formula
- C38H74O2
- Molecular weight
- 562.99
Names & synonyms
Octadec-9-enyl icosanoate156952-79-3DTXSID1027586322393-96-0RefChem:202395DTXCID60227231ARACHIDIC ACID OLEOYL ESTER CRYSTALLINEoctadec-9-en-1-yl icosanoateEicosanoic acid 9-octadecen-1-yl ester
Database identifiers
- CAS
156952-79-3、22393-96-0- PubChem CID
- 89691
- DTXSID
DTXSID10275863- EC Number
- 244-952-7
Properties
Computed structural properties
- XLogP
- 17.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 35
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 498
Experimental & physicochemical properties
CosmeticsEmollient
Physicochemical properties
- Boiling point
- 617.5 · 617.5±34.0 °C(Predicted)
- Density
- 0.862 · 0.862±0.06 g/cm3(Predicted)
Chemistry & industry
Uses & manufacturing
Use ClassificationCosmetics -> Emollient
General Manufacturing InformationEicosanoic acid, (9Z)-9-octadecen-1-yl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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