Diisocetyl Adipate
Basic information
- CAS
59686-69-0- Standard SMILES
CC(C)CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCC(C)C- InChIKey
BHGAOGZUKUXCDC-UHFFFAOYSA-N- Molecular formula
- C38H74O4
- Average molar mass
- 595 g/mol
- Monoisotopic mass
- 594.55871084
Names & identifiers
- Preferred name
- Diisocetyl Adipate
- IUPAC
- bis(14-methylpentadecyl) hexanedioate
- English name
- diisohexadecyl adipate
- Molecular formula
- C38H74O4
- Molecular weight
- 594.99176
Names & synonyms
Diisocetyl adipate59686-69-0EINECS 261-857-6UNII-14885YC9LU14885YC9LUHexanedioic acid, diisohexadecyl esterAEC DIISOCETYL ADIPATEHEXANEDIOIC ACID, 1,1'-DIISOHEXADECYL ESTERRefChem:134042DIISOCETYL ADIPATE [INCI]261-857-657533-90-1
Show more names
EINECS 260-799-9UNII-700593SCJBDiisohexadecyl adipatebis(14-methylpentadecyl) hexanedioateSCHEMBL297394DTXSID40975086BHGAOGZUKUXCDC-UHFFFAOYSA-NNS00055327
Database identifiers
- CAS
59686-69-0- PubChem CID
- 108804
- DTXSID
DTXSID40975086- UNII
- 14885YC9LU
- EC Number
- 261-857-6
Properties
Computed structural properties
- XLogP
- 15.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 35
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 521
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (Diisocetyl Adipate) -> CIR (Cosmetic Ingredient Review)
Emollient
Physicochemical properties
- Cosmetics Ingredients Functions
- PLASTICISERSOLVENTSKIN CONDITIONING - EMOLLIENTSKIN CONDITIONING
- FDA UNII
- 14885 YC9LU · 14885YC9LU
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 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: Diisocetyl Adipate
Household ProductsInformation on 1 consumer products that contain Diisocetyl Adipate in the following categories is provided:
Use ClassificationCosmetics -> Emollient
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Related reactions
0 records
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Compound notes
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