Basic information
- CAS
631-88-9- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C- InChIKey
FXKDHZXYYBPLHI-TUTABMRPSA-N- Molecular formula
- C38H62O2
- Average molar mass
- 550.9 g/mol
- Monoisotopic mass
- 550.47498122
Overview
All-trans-retinyl oleate is a fatty acid ester formed between oleic acid and all-trans-retinol. It is functionally related to an oleic acid and an all-trans-retinol.
Names & identifiers
- Preferred name
- Retinyl oleate
- IUPAC
- [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] (Z)-octadec-9-enoate
- English name
- retinol oleate
- Molecular formula
- C38H62O2
- Molecular weight
- 550.9
Names & synonyms
all-trans-retinyl oleateRetinol oleateRetinyl oleate631-88-9O-oleoyl-all-trans-retinolRetinol, (Z)-9-octadecenoate8HU01DH65PRetinol, 9-octadecenoate, (Z)-(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl (9Z)-octadec-9-enoateCHEBI:70760DTXSID601021962O(15)-[(9Z)-octadec-9-enoyl]retinol
Show more names
RETINYLOLEATERetinol (Z)-9-OctadecenoateRetinol (9Z)-9-OctadecenoateRetinol 15-[(9Z)-9-Octadecenoate
O(15)-((9Z)-octadec-9-enoyl)retinolRefChem:930684DTXCID301506866Vitamin A Oleate[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] (Z)-octadec-9-enoateUNII-8HU01DH65PSCHEMBL15375758all-trans-retinyl 9Z-octadecenoate
Database identifiers
- CAS
631-88-9- PubChem CID
- 11699609
Properties
Computed structural properties
- XLogP
- 13.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 22
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 875
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Physicochemical properties
- Boiling point
- 631.6 · 631.6±34.0 °C(Predicted)
- Density
- 0.923 · 0.923±0.06 g/cm3(Predicted)
- storage temp.
- -86 °C · Amber Vial, -86°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless to Yellow
- Stability
- Light Sensitive, Temperature Sensitive
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- LogP
- 14.932 · 14.932 (est)
- FDA UNII
- 8 HU01DH65P · 8HU01DH65P
Chemistry & industry
Applications
Usesretinol oleate is used for the preparation of oil-based composition for acne treatment.
Usesall-trans-Retinyl Oleate is used for the preparation of oil-based composition for acne treatment.
Suppliers5 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
Aladdin Scientific[email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
DefinitionChEBI: A fatty acid ester formed between oleic acid and all-trans-retinol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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