Ethyl Ricinoleate
Basic information
- CAS
55066-53-0- Standard SMILES
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCC- InChIKey
AZXVZUBIFYQWJK-KWRJMZDGSA-N- Molecular formula
- C20H38O3
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.28209507
Names & identifiers
- Preferred name
- Ethyl Ricinoleate
- IUPAC
- ethyl (Z,12R)-12-hydroxyoctadec-9-enoate
- English name
- Ricinoleic acid ethyl ester
- Molecular formula
- C20H38O3
- Molecular weight
- 326.51
Names & synonyms
Ethyl ricinoleate55066-53-0UNII-G8Y3BN2GRWG8Y3BN2GRW9-Octadecenoic acid, 12-hydroxy-, ethyl ester, (9Z,12R)-RICINOLEATE D'ETHYLEEINECS 259-462-9Ricinoleic acid, ethyl ester(+)-ETHYL RICINOLEATE9-Octadecenoic acid, 12-hydroxy-, ethyl ester, (R-(Z))-DTXSID808861279-Octadecenoic acid, 12-hydroxy-, ethyl ester, [R-(Z)]-
Show more names
NeoricinRicinoleicEthyl 9-OctadecenoateRIZINOLSAEURE-ETHYLESTEREthyl-(R)-12-hydroxyoleatethyl (R)-12-hydroxyoleateRICINOLIC ACID ETHYL ESTER(R)-ricinolicacidethylester
9-Octadecenoic acid, 12-hydroxy-, ethyl ester, (theta-(Z))-RefChem:139054ETHYL RICINOLEATE [INCI]DTXCID601025469259-462-9AZXVZUBIFYQWJK-KWRJMZDGSA-NRicinoleic acid ethyl esterethyl (Z,12R)-12-hydroxyoctadec-9-enoate
Database identifiers
- CAS
55066-53-0- PubChem CID
- 6437405
- DTXSID
DTXSID80886127- UNII
- G8Y3BN2GRW
- EC Number
- 259-462-9
- Nikkaji
- J208.933E
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 287
Experimental & physicochemical properties
CosmeticsCosmetic ingredients (Ethyl Ricinoleate) -> CIR (Cosmetic Ingredient Review)
FragrancesFragrance Ingredient (Ethyl ricinoleate) -> IFRA transparency List
Physicochemical properties
- Boiling point
- 258 °C · 258 °C / 13mmHg
- Density
- 0.92 · 0.92
- refractive index
- 1.4618 · 1.4618 (estimate)
- storage temp.
- 20 °C · −20°C
- solubility
- 50 mg/ml; · DMF: 50 mg/ml; DMSO: 50 mg/ml; Ethanol: 100 mg/ml; Ethanol:PBS (pH 7.2): 0.5 mg/ml
- pka
- 15.1 · 15.10±0.20(Predicted)
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- Odor
- Very faint “oily” odor when pure.
- Cosmetics Ingredients Functions
- SKIN CONDITIONINGPERFUMING
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 Classification
This chemical does not meet GHS hazard criteria for 98.9% (90 of 91) of all reports.
Not Classified
Aggregated GHS information provided per 91 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 9-Octadecenoic acid, 12-hydroxy-, ethyl ester, [R-(Z)]-
9-Octadecenoic acid, 12-hydroxy-, ethyl ester, [R-(Z)]-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Hazard Classes and CategoriesNot Classified
Toxicology
Toxicity Summary
Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
The existing information was reviewed by the independent Expert Panel for Fragrance Safety and supports the use of ethyl ricinoleate as described in this fragrance ingredient safety assessment. It is not genotoxic. The repeated dose, reproductive, and local respiratory toxicity endpoints were evaluated using the Threshold of Toxicological Concern (TTC) for a Cramer Class I material, and the exposure is below the TTC. Data from read-across analog 9-octadecenoic acid, 12-hydroxy-, methyl ester show that there are no safety concerns for for skin sensitization under the current declared levels of use. Ethyl ricinoleate is not expected to be photoirritating/photoallergenic based on evaluation of the ultraviolet/visible (UV/Vis) spectra.
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Ethyl Ricinoleate
Use ClassificationFragrance Ingredients
General Manufacturing Information9-Octadecenoic acid, 12-hydroxy-, ethyl ester, (9Z,12R)-: ACTIVE
Applications
UsesOccasionally used in perfume compositions, mainly as a component of artificial flower absolutes, etc. or in various places to introduce a natural oily note of lasting effect. The ester is also used in flavor compositions for a similar purpose.
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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