12-Hydroxyoctadec-9-enoic acid
Basic information
- CAS
7431-95-0- Standard SMILES
CCCCCCC(O)CC=CCCCCCCCC(=O)O- InChIKey
WBHHMMIMDMUBKC-UHFFFAOYSA-N- Molecular formula
- C18H34O3
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.25079494
Overview
12-hydroxy-9-octadecenoic acid has been reported in Linum mucronatum and Ricinus communis with data available.
Names & identifiers
- Preferred name
- 12-Hydroxyoctadec-9-enoic acid
- IUPAC
- 12-hydroxyoctadec-9-enoic acid
- English name
- Ricinoleic acid
- Molecular formula
- C18H34O3
- Molecular weight
- 298.46
Names & synonyms
12-hydroxyoctadec-9-enoic acidDTXSID208592747431-95-0RefChem:236395DTXCID6080969782188-83-812-Hydroxy-9(E)-octadecenoic acid(R)-12-Hydroxy-cis-9-octadecenoic acid[R-(E)]-12-Hydroxy-9-octadecenoic acid9-Octadecenoic acid, 12-hydroxy-, (9Z,12R)-SCHEMBL20992RICINOLEIC ACID, 98%
Show more names
Nsc1796949-Octadecenoic acid, 12-hydroxy-
MEGxp0_00200312-hydroxyl-9-octadecenoic acidACon1_000440WBHHMMIMDMUBKC-UHFFFAOYSA-NAAA54012SB44559[R]-12-Hydroxy-cis -9-octadecanoic acidDB-063367
Database identifiers
- CAS
7431-95-0、82188-83-8- PubChem CID
- 8839
- DTXSID
DTXSID20859274- EC Number
- 680-559-0
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Boiling point
- 416.4 · 416.4±20.0 °C(Predicted)
- Density
- 0.957 · 0.957±0.06 g/cm3(Predicted)
- pka
- 4.78 · 4.78±0.10(Predicted)
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENTSURFACTANT - EMULSIFYINGCLEANSINGSURFACTANT - CLEANSING
- LogP
- 5.607 · 5.607 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313
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
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313
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Related reactions
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Compound notes
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