Basic information
- CAS
23224-20-6- Standard SMILES
CCCCCCC(O)CC=CCCCCCCCC(=O)OC- InChIKey
XKGDWZQXVZSXAO-UHFFFAOYSA-N- Molecular formula
- C19H36O3
- Average molar mass
- 312.5 g/mol
- Monoisotopic mass
- 312.26644501
Overview
See also: Methyl Ricinoleate (annotation moved to).
Names & identifiers
- Preferred name
- Methyl 12-hydroxyoctadec-9-enoate
- IUPAC
- methyl 12-hydroxyoctadec-9-enoate
- English name
- Methyl ricinoleate
- Molecular formula
- C19H36O3
- Molecular weight
- 312.49
Names & synonyms
methyl 12-hydroxyoctadec-9-enoate23224-20-6Methyl ricinelaidate(R,Z)-Methyl 12-hydroxyoctadec-9-enoateMethyl 12-Hydroxy-9(E)-octadecenoate9-Octadecenoic acid, 12-hydroxy-, methyl esterAMBRICIN-E1(R)-12-Hydroxy-cis-9-octadecenoic acid methyl esterRicinelaidic acid methyl esterSCHEMBL868137DTXSID80859275Methyl ricinelaidate (9tr,12OH)
Show more names
41989-07-57706-01-6SB48297DB-042557NS00013859
Database identifiers
- CAS
23224-20-6、7706-01-6- PubChem CID
- 8841
- DTXSID
DTXSID80859275- EC Number
- 680-556-4
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Boiling point
- 412 · 412.0±28.0 °C(Predicted)
- Density
- 0.926 · 0.926±0.06 g/cm3(Predicted)
- pka
- 15.21 · 15.21±0.20(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Regulatory InformationChemical: 9-Octadecenoic acid, 12-hydroxy-, methyl ester
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Applications
UsesMethyl 12-hydroxy-9(E)-octadecenoate (Methyl (E)-12-hydroxyoctadec-9-enoate) is an ester product.
Suppliers1 total
Alfa Chemistry1-516-6625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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