Basic information
- CAS
68975-81-5- Standard SMILES
CCCCCCCCOC(=O)CC(C)CC(C)(C)C(=O)OCCCCCCCC- InChIKey
PWGKFKFFANDJNJ-UHFFFAOYSA-N- Molecular formula
- C25H48O4
- Average molar mass
- 412.6 g/mol
- Monoisotopic mass
- 412.35526001
Names & identifiers
- Preferred name
- Hexanedioic acid, 2,2,4-trimethyl-, 1,6-dioctyl ester
- IUPAC
- dioctyl 2,2,4-trimethylhexanedioate
- English name
- dioctyl 2,2,4-trimethyladipate
- Molecular formula
- C25H48O4
- Molecular weight
- 412.64622
Names & synonyms
68975-81-5EINECS 273-479-9Hexanedioic acid, 2,2,4-trimethyl-, 1,6-dioctyl esterDTXSID20887638Hexanedioic acid, 2,2,4-trimethyl-, dioctyl esterRefChem:786403DTXCID001026926Dioctyl 2,2,4-trimethyladipatedioctyl 2,2,4-trimethylhexanedioatePWGKFKFFANDJNJ-UHFFFAOYSA-NNS000621442,2,4-Trimethylhexanedioic acid dioctyl ester
Database identifiers
- CAS
68975-81-5- PubChem CID
- 112129
- DTXSID
DTXSID20887638- EC Number
- 273-479-9
- Nikkaji
- J310.660H
Properties
Computed structural properties
- XLogP
- 8.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 21
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 417
Physicochemical properties
- EPA Substance Registry System
- 2 · Dioctyl 2,2,4-trimethyladipate (68975-81-5)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexanedioic acid, 2,2,4-trimethyl-, 1,6-dioctyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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