Basic information
- CAS
3687-45-4- Standard SMILES
CCCCCCCC/C=C\CCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCCCC- InChIKey
BARWIPMJPCRCTP-CLFAGFIQSA-N- Molecular formula
- C36H68O2
- Average molar mass
- 532.9 g/mol
- Monoisotopic mass
- 532.52193142
Overview
Oleyl oleate is a wax ester obtained by the formal condensation of oleic acid and oleyl alcohol. It is functionally related to an oleic acid and a (9Z)-octadecen-1-ol.
Names & identifiers
- Preferred name
- Oleyl Oleate
- IUPAC
- [(Z)-octadec-9-enyl] (Z)-octadec-9-enoate
- English name
- Oleic acid oleyl ester
- Molecular formula
- C36H68O2
- Molecular weight
- 532.92
Names & synonyms
Oleyl oleate3687-45-49Z-octadecenyl 9Z-octadecenoateSchercemol OLO9-Octadecenoic acid (Z)-, 9-octadecenyl ester, (Z)-COSMOL LIQUIDCHEBI:75626EXCEPARL OL-OLCRODAMOL OO-V9-Octadecenoic acid (9Z)-, (9Z)-9-octadecen-1-yl ester3X3L452Y85WE(18:1(9Z)/18:1(9Z))
Show more names
Oleyl Oleate 95Oleyl Oleate OLOOleyl Oleate (0.5 mL)Oleyl Oleate 95 (125 mg)Oleic acid (Z)-9-octadecenyl esterOleic acid (9Z)-9-octadecenyl ester
RefChem:856564222-980-0Oleic acid oleyl esterCetiol(Z)-Octadec-9-enyl oleate(Z)-OCTADEC-9-EN-1-YL OLEATE[(Z)-octadec-9-enyl] (Z)-octadec-9-enoateOleyl oleate [NF]
Database identifiers
- CAS
3687-45-4- PubChem CID
- 5364672
- DTXSID
DTXSID20893537- ChEBI
CHEBI:75626
Properties
Computed structural properties
- XLogP
- 15.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 32
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 507
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Cosmetics
Cosmetic ingredients (Oleyl Oleate) -> CIR (Cosmetic Ingredient Review)
Emollient
Physicochemical properties
- Melting point
- -7.1 °C · -7.1 °C
- Boiling point
- 596.5 · 596.5±39.0 °C(Predicted)
- Density
- 0.86 g/cm3 · 0.8600 g/cm3(Temp: 30 °C)
- refractive index
- 1.4618 · 1.4618 (25 °C)
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Viscosity
- 30.3 mm2/s · 30.3mm2/s
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENT
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 83.4% (196 of 235) of all reports.
Warning
H315 (16.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 235 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 9-Octadecenoic acid, 9-octadecenyl ester, (Z,Z)-
Status: Active Update: 25-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/12441
9-Octadecenoic acid (9Z)-, (9Z)-9-octadecenyl ester: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 9-Octadecenoic acid, 9-octadecenyl ester, (Z,Z)-: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (16.6%)
Toxicology
Toxicity Summary
The CIR Expert Panel concluded that the alkyl esters, listed subsequently, are safe in the present practices of use and concentration described in this safety assessment when formulated to be non-irritating.
Safe for use in cosmetics, with qualifications
Safety data
- wgk
- 3
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Oleyl Oleate
Use ClassificationCosmetics -> Emollient
General Manufacturing Information9-Octadecenoic acid (9Z)-, (9Z)-9-octadecen-1-yl ester: ACTIVE
Applications
UsesOleyl Oleate is a synthetic analog of jojoba oil. Used as a wax ester for various applications.
Suppliers49 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
Related reactions
2 records
Compound notes
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