Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid
Basic information
- CAS
25950-34-9- Standard SMILES
CC(C)(CO)CO.CCC(CO)(CO)CO.O=C(O)CCCCC(=O)O.O=C(O)c1cccc(C(=O)O)c1- InChIKey
IEDXXJZTLGWDSD-UHFFFAOYSA-N- Molecular formula
- C25H42O13
- Average molar mass
- 550.6 g/mol
- Monoisotopic mass
- 550.26254139
Names & identifiers
- Preferred name
- Benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid
- IUPAC
- benzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acid
- English name
- Adipic acid/isophthalic acid/neopentyl glycol /trimethylolpropane copolymer
- Molecular formula
- C25H42O13
- Molecular weight
- 550.59318
Names & synonyms
SCHEMBL4923612IEDXXJZTLGWDSD-UHFFFAOYSA-Nbenzene-1,3-dicarboxylic acid;2,2-dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;hexanedioic acidadipic/isophthalic/np glycol/trimethylolpropane polyesterAdipic acid/isophthalic acid/neopentyl glycol /trimethylolpropane copolymerbenzene-1,3-dicarboxylic acid,2,2-dimethylpropane-1,3-diol,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,hexanedioic acid1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid
Database identifiers
- CAS
25950-34-9- PubChem CID
- 168441
Properties
Computed structural properties
- Topological polar surface area
- 250 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 13
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 397
Physicochemical properties
- Cosmetics Ingredients Functions
- FILM FORMINGHAIR FIXING
- EPA Substance Registry System
- 1 · 1,3-Benzenedicarboxylic acid, polymer with 2,2-dimethyl-1,3-propanediol, 2-ethyl-2-(hydroxymethyl)-1,3-propanediol and hexanedioic acid (25950-34-9)
- 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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