Dioleic acid, diester with glycerol
Basic information
- CAS
25637-84-7- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C/CCCCCCCC- InChIKey
DRAWQKGUORNASA-YAFCTCPESA-N- Molecular formula
- C39H72O5
- Average molar mass
- 621 g/mol
- Monoisotopic mass
- 620.53797539
Overview
The Expert Panel concluded that ... Glyceryl Dioleate is safe as cosmetic ingredients in the practices of use and concentrations as described in this safety assessment provided that the content of 1,2-diesters is not high enough to induce epidermal hyperplasia.
Names & identifiers
- Preferred name
- Dioleic acid, diester with glycerol
- IUPAC
- [2-hydroxy-3-[(E)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
- English name
- GLYCERYL DIOLEATE
- Molecular formula
- C39H72O5
- Molecular weight
- 620.99
Names & synonyms
Dioleic acid, diester with glycerolRefChem:588751Glyceryl dioleate9-Octadecenoic acid (9Z)-, diester with 1,2,3-propanetriolUNII-Z3MP1W91CWMFCD00042913EINECS 247-144-2Z3MP1W91CWSCHEMBL17099733diolein (C18:1,(cis)-9)9-Octadecenoic acid (Z)-, diester with 1,2,3-propanetriol[2-hydroxy-3-[(E)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
Show more names
DIOLEIN1,3-OleinDIOLEOYL GLYCEROL1,3-DIOLEINAldo(R) DO KFGDiglyceride DGGlycerin dioleateGLYCEROL DIOLEATEDELTA 9 CIS DIOLEIN
9-Octadecenoic acid, diester with 1,2,3-propanetriol[2-hydroxy-3-[(E)-octadec-9-enoyl]oxy-propyl] (Z)-octadec-9-enoate
Database identifiers
Properties
Computed structural properties
- XLogP
- 14.3
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 36
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 615
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Glyceryl Dioleate) -> CIR (Cosmetic Ingredient Review)
Emollient
Physicochemical properties
- Flash point
- Not applicable
- storage temp.
- -20 °C · -20°C
- solubility
- 10 mg/ml; · DMF: 10 mg/ml; Ethanol: 10 mg/ml; Ethanol:PBS (pH 7.2) (1:1): 0.5 mg/ml
- Density
- 0.89 · 0.89-0.92 g/cm3(Temp: 50 °C)
- Melting point
- 12 °C · 12 °C
- form
- liquid
- color
- White to off-white
- BRN
- 1730341 · 1730341
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENT
- Cosmetic Ingredient Review (CIR)
- GLYCERYL DIOLEATE (25637-84-7)
- InChIKey
- AFSHUZFNMVJNKX-CLFAGFIQSA-N
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 Expert Panel concluded that ... Glyceryl Dioleate is safe as cosmetic ingredients in the practices of use and concentrations as described in this safety assessment provided that the content of 1,2-diesters is not high enough to induce epidermal hyperplasia.
Safe for use in cosmetics, with qualifications
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 1
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Glyceryl Dioleate
Use ClassificationCosmetics -> Emollient
Applications
UsesAldo(R) DO KFG is a low HLB (~2) material can be used as a food emulsifier. This material has both indirect and direct food contact applications.
UsesDioleoylglycerol can be used to treat breast cancer.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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