Benzene-1,3-dicarboxylic acid;benzoic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;2,2,4-trimethylpentane-1,3-diol
Basic information
- CAS
68647-13-2- Standard SMILES
CC(C)C(O)C(C)(C)CO.CCC(CO)(CO)CO.O=C(O)CCCCC(=O)O.O=C(O)c1cccc(C(=O)O)c1.O=C(O)c1ccccc1- InChIKey
ZPMGGZRDCQDNFF-UHFFFAOYSA-N- Molecular formula
- C35H54O15
- Average molar mass
- 714.8 g/mol
Names & identifiers
- Preferred name
- Benzene-1,3-dicarboxylic acid;benzoic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;2,2,4-trimethylpentane-1,3-diol
- IUPAC
- benzene-1,3-dicarboxylic acid;benzoic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid;2,2,4-trimethylpentane-1,3-diol
- English name
- 1,3-Benzenedicarboxylic acid, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 2,2,4-trimethyl-1,3-pentanediol, benzoate
- Molecular formula
- C35H54O15
- Molecular weight
- 714.79426
Names & synonyms
1,3-Benzenedicarboxylic acid, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 2,2,4-trimethyl-1,3-pentanediol, benzoate
Database identifiers
- CAS
68647-13-2
Properties
Computed structural properties
- Topological polar surface area
- 288 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 15
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 554
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Benzenedicarboxylic acid, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, hexanedioic acid and 2,2,4-trimethyl-1,3-pentanediol, benzoate (68647-13-2)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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