Ethyl octadec-9-enoate
Basic information
- CAS
6512-99-8- Standard SMILES
CCCCCCCCC=CCCCCCCCC(=O)OCC- InChIKey
LVGKNOAMLMIIKO-UHFFFAOYSA-N- Molecular formula
- C20H38O2
- Average molar mass
- 310.5 g/mol
- Monoisotopic mass
- 310.28718045
Overview
Ethyl octadec-9-enoate has been reported in Aristolochia grandiflora, Cinnamomum camphora, and other organisms with data available.
Names & identifiers
- Preferred name
- Ethyl octadec-9-enoate
- IUPAC
- ethyl octadec-9-enoate
- English name
- Ethyl oleate
- Molecular formula
- C20H38O2
- Molecular weight
- 310.51
Names & synonyms
ethyl octadec-9-enoateDTXSID80476346512-99-8RefChem:139022Ethyl octadec-9-enoic acidDTXCID6027634LVGKNOAMLMIIKO-UHFFFAOYSA-NLVGKNOAMLMIIKO-VAWYXSNFSA-NOleic acid ethyl ester9-Octadecenoic acid, ethyl esterEthyl 9-octadecenoateEthylis oleas
Show more names
2,11-dithia[12](9,10)-anthracenophane
Ethyl Oleate, NFETHYL OLEATE, TECHSCHEMBL2798orb3139634s5367DB-053799
Database identifiers
- CAS
6512-99-8- PubChem CID
- 8123
- DTXSID
DTXSID8047634
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 258
Experimental & physicochemical properties
Density0.868-0.873
Solubility
insoluble in water; soluble in ether
Soluble (in ethanol)
Boiling Point205-208 °C
Refractive Index1.448-1.453
Physical Descriptionoily, slightly yellowish liquid with a floral odour
Physicochemical properties
- Boiling point
- 385.9 · 385.9±21.0 °C(Predicted)
- Density
- 0.872 · 0.872±0.06 g/cm3(Predicted)
- LogP
- 8.528 · 8.528 (est)
Chemistry & industry
Uses & manufacturing
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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