Basic information
- CAS
16907-62-3- Standard SMILES
O=C(O)CCCCC(=O)OCC(O)CO- InChIKey
MBAGLYAOSZAUFG-UHFFFAOYSA-N- Molecular formula
- C9H16O6
- Average molar mass
- 220.22 g/mol
- Monoisotopic mass
- 220.09468823
Names & identifiers
- Preferred name
- Glyceryl Adipate
- IUPAC
- 6-(2,3-dihydroxypropoxy)-6-oxohexanoic acid
- English name
- adipic acid, monoester with glycerol
- Molecular formula
- C9H16O6
- Molecular weight
- 220.21974
Names & synonyms
Glyceryl adipate26699-71-8Adipic acid, monoester with glycerolEINECS 247-911-1M3BNE9144JHexanedioic acid, monoester with 1,2,3-propanetriolTRIOXENE ARefChem:663507GLYCERYL ADIPATE [INCI]GLYCEROL, MONO(HYDROGEN ADIPATE)247-911-1Glyceryl 1-adipate
Show more names
6-(2,3-dihydroxypropoxy)-6-oxohexanoic acid16907-62-3Glycerol, 1-(hydrogen adipate)6UXO8KCR3JAdipic acid, mono(2,3-dihydroxypropyl) esterHexanedioic acid, 1-(2,3-dihydroxypropyl) esterUNII-6UXO8KCR3JUNII-M3BNE9144J
Database identifiers
- CAS
16907-62-3、26699-71-8- PubChem CID
- 3015293
- DTXSID
DTXSID00865313- UNII
- 6UXO8KCR3J
- EC Number
- 247-911-1
- Nikkaji
- J2.102.444I
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Glyceryl Adipate) -> CIR (Cosmetic Ingredient Review)
Emollient
Physicochemical properties
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - EMOLLIENT
- Cosmetic Ingredient Review (CIR)
- adipic acid, monoester with glycerol (26699-71-8)
- LogP
- -0.949 · -0.949 (est)
- EWG's Food Scores
- 1 · 1-3
- FDA UNII
- 3 BNE9144J · M3BNE9144J
Safety & regulation
Hazard information
Regulatory InformationChemical: Hexanedioic acid, monoester with 1,2,3-propanetriol
Other Safety InformationIMAP assessments - Hexanedioic acid, monoester with 1,2,3-propanetriol: Human health tier I assessment
Toxicology
Toxicity SummarySafe 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
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: Glyceryl Adipate
Use ClassificationCosmetics -> Emollient
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…