Basic information
- CAS
58262-41-2- Standard SMILES
CCCCCCCCCCCCCCC(C)OC(=O)CCCCC(=O)OC(C)CCCCCCCCCCCCCC- InChIKey
FRBBYVCAMAHYTI-UHFFFAOYSA-N- Molecular formula
- C38H74O4
- Average molar mass
- 595 g/mol
- Monoisotopic mass
- 594.55871084
Names & identifiers
- Preferred name
- Bis(1-methylpentadecyl) adipate
- IUPAC
- dihexadecan-2-yl hexanedioate
- English name
- bis(1-methylpentadecyl) adipate
- Molecular formula
- C38H74O4
- Molecular weight
- 594.99
Names & synonyms
Bis(1-methylpentadecyl) adipate58262-41-21T4ED54M8Sdihexadecan-2-yl hexanedioateUNII-1T4ED54M8SEINECS 261-193-7ESHELAN 201Di(hexadecan-2-yl) hexanedioateDTXSID20973823FRBBYVCAMAHYTI-UHFFFAOYSA-NNS00053540Q27252853
Show more names
Adipic acid bis(1-methylpentadecyl) ester
HEXANEDIOIC ACID, 1,6-BIS(1-METHYLPENTADECYL) ESTER
Database identifiers
- CAS
58262-41-2- PubChem CID
- 94010
- DTXSID
DTXSID20973823- UNII
- 1T4ED54M8S
- EC Number
- 261-193-7
- Nikkaji
- J296.916E
Properties
Computed structural properties
- XLogP
- 15.9
- 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
- 525
Physicochemical properties
- Cosmetics Ingredients Functions
- PLASTICISERSKIN CONDITIONING - EMOLLIENTSOLVENTSKIN CONDITIONING
- FDA UNII
- 1 T4ED54M8S · 1T4ED54M8S
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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