Basic information
- CAS
143485-69-2- Standard SMILES
CCCCCCCCC=CCCCCCCCCCCCC(=O)OCCCCCCCCC=CCCCCCCCC- InChIKey
SZAMSYKZCSDVBH-UHFFFAOYSA-N- Molecular formula
- C40H76O2
- Average molar mass
- 589 g/mol
- Monoisotopic mass
- 588.58453166
Names & identifiers
- Preferred name
- Octadec-9-en-1-yl docos-13-enoate
- IUPAC
- octadec-9-enyl docos-13-enoate
- English name
- OLEYL ERUCATE
- Molecular formula
- C40H76O2
- Molecular weight
- 589.03
Names & synonyms
SCHEMBL8212635DTXSID20864787SZAMSYKZCSDVBH-UHFFFAOYSA-NOctadec-9-en-1-yl docos-13-enoateOLEYL ERUCATE13-Docosenoic acid, 9-octadecen-1-yl ester
Database identifiers
- CAS
143485-69-2- PubChem CID
- 87227
- DTXSID
DTXSID20864787
Properties
Computed structural properties
- XLogP
- 17.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 36
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 564
Physicochemical properties
- Boiling point
- 637.7 · 637.7±34.0 °C(Predicted)
- Density
- 0.866 · 0.866±0.06 g/cm3(Predicted)
- Cosmetic Ingredient Review (CIR)
- OLEYL ERUCATE (143485-69-2)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 753 W099NQ6 · 753W099NQ6
Chemistry & industry
Applications
Usesoleyl erucate is an all-purpose emollient sometimes used as a jojoba oil substitute.
Suppliers7 total
深圳市星凯越生物科技有限公司0755-18589069862 18589069862 · [email protected]
湖北世腾化工科技有限公司18971850150 19086915685 · [email protected]
湖北美钡新材料有限公司18271819653 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
溧阳市瑞普新材料有限公司0519-18951201333 18951201333 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
湖北中隆康盛精细化工有限公司027-83850125 15927542930 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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