2-Hydroxypropyl oleate
Basic information
- CAS
142-76-7- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)O- InChIKey
ZVTDEEBSWIQAFJ-KHPPLWFESA-N- Molecular formula
- C21H40O3
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.29774513
Names & identifiers
- Preferred name
- 2-Hydroxypropyl oleate
- IUPAC
- 2-hydroxypropyl (Z)-octadec-9-enoate
- English name
- 2-hydroxypropyl oleate
- Molecular formula
- C21H40O3
- Molecular weight
- 340.54
Names & synonyms
2-Hydroxypropyl oleate142-76-7Propylene glycol 1-oleate2-hydroxypropyl (Z)-octadec-9-enoate476821E6GSUNII-476821E6GSEINECS 205-558-02-Hydroxypropyloleatepropyleneglycol monooleate2-HYDROXYPROPYL (9Z)-OCTADEC-9-ENOATESCHEMBL93688SCHEMBL4933014
Show more names
2-Hydroxypropyloctadecanoate1,2-Propylene glycol, monooleateOleic acid, 2-hydroxypropyl ester9-Octadecenoic acid (9Z)-, 2-hydroxypropyl ester
DTXSID40892305ZVTDEEBSWIQAFJ-KHPPLWFESA-N1,2-PROPANEDIOL, 1-OLEATEMFCD00046647MSK198747AKOS0376443192-Hydroxypropyl (9Z)-9-octadecenoatepropylene glycol monooleate, AldrichCPR
Database identifiers
- CAS
142-76-7- PubChem CID
- 9798043
- DTXSID
DTXSID40892305- UNII
- 476821E6GS
- EC Number
- 205-558-0
- Nikkaji
- J47.119D
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Boiling point
- 446.8 · 446.8±28.0 °C(Predicted)
- Density
- 0.919 · 0.919±0.06 g/cm3(Predicted)
- pka
- 13.97 · 13.97±0.20(Predicted)
- FDA UNII
- 476821 E6GS · 476821E6GS
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Related reactions
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Compound notes
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