Isopropyl Ricinoleate
Basic information
- CAS
71685-99-9- Standard SMILES
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC(C)C- InChIKey
SDYPTODXHIAHDF-ACQXMXPUSA-N- Molecular formula
- C21H40O3
- Average molar mass
- 340.5 g/mol
- Monoisotopic mass
- 340.29774513
Overview
The CIR Expert Panel concluded that eh alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be nonirritating
Names & identifiers
- Preferred name
- Isopropyl Ricinoleate
- IUPAC
- propan-2-yl (Z,12R)-12-hydroxyoctadec-9-enoate
- English name
- isopropyl (R)-12-hydroxyoleate
- Molecular formula
- C21H40O3
- Molecular weight
- 340.54
Names & synonyms
Isopropyl ricinoleate71685-99-9EINECS 275-841-1isopropyl ricinolateUNII-UF7402J14A9-Octadecenoic acid, 12-hydroxy-, 1-methylethyl ester, (9Z,12R)-UF7402J14ADTXSID6088797012-Hydroxy-9-octadecenoic acid, 1-methylethyl ester1-Methylethyl, 12-hydroxy-9-octadecenoate9-Octadecenoic acid, 12-hydroxy-, 1-methylethyl ester9-OCTADECENOIC ACID, 12-HYDROXY-, 1-METHYLETHYL ESTER, (R-(Z))-
Show more names
ricinolic acid isopropyl esterRicinoleic acid isopropyl ester(12R,9Z)-12-Hydroxy-9-octadecenoic acid 1-methylethyl ester
RefChem:149837DTXCID901027252ISOPROPYL RICINOLEATE [INCI]275-841-1Isopropyl (R)-12-hydroxyoleateRicinoleic acid, isopropyl esterpropan-2-yl (Z,12R)-12-hydroxyoctadec-9-enoatepropan-2-yl (9Z,12R)-12-hydroxyoctadec-9-enoate
Database identifiers
- CAS
71685-99-9
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 310
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Isopropyl Ricinoleate) -> CIR (Cosmetic Ingredient Review)
Emollient; Skin conditioning
Physicochemical properties
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGSKIN CONDITIONING - EMOLLIENT
- Cosmetic Ingredient Review (CIR)
- -12 · isopropyl (R)-12-hydroxyoleate (71685-99-9)
- LogP
- 7.068 · 7.068 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7402 J14A · UF7402J14A
- EPA Substance Registry System
- 9 · 9-Octadecenoic acid, 12-hydroxy-, 1-methylethyl ester, (9Z,12R)- (71685-99-9)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Toxicity Summary
The CIR Expert Panel concluded that eh alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be nonirritating
Safe for use in cosmetics, with qualifications
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Isopropyl Ricinoleate
Use ClassificationCosmetics -> Emollient; Skin conditioning
General Manufacturing Information9-Octadecenoic acid, 12-hydroxy-, 1-methylethyl ester, (9Z,12R)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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