Basic information
- CAS
68186-32-3- Standard SMILES
CC(C)CCCCCO.O=C(O)c1ccc(C(=O)O)c(C(=O)O)c1- InChIKey
VEIWVCXFIZUGAU-UHFFFAOYSA-N- Molecular formula
- C17H24O7
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.1522031
Names & identifiers
- Preferred name
- 1,2,4-Benzenetricarboxylic acid, isooctyl ester
- IUPAC
- benzene-1,2,4-tricarboxylic acid;6-methylheptan-1-ol
- English name
- 1,2,4-Benzenetricarboxylic acid, isooctyl ester
- Molecular formula
- C17H22O6
- Molecular weight
- 322.35298
Names & synonyms
Isooctyl trimellitateTrimellitic anhydride, isooctyl alcohol ester1,2,4-Benzenetricarboxylic acid, isooctyl esterEINECS 269-038-568186-32-3RefChem:71504269-038-5
Database identifiers
- CAS
68186-32-3- PubChem CID
- 109686
- EC Number
- 269-038-5
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 348
Physicochemical properties
- EPA Substance Registry System
- Isooctyl trimellitate (68186-32-3)
- 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 Information1,2,4-Benzenetricarboxylic acid, isooctyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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