1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol
Basic information
- CAS
15015-84-6- Standard SMILES
O=C(O)c1ccccc1C(=O)O.OCC(CO)(CO)CO- InChIKey
BFRLRGJQKQUFHK-UHFFFAOYSA-N- Molecular formula
- C13H18O8
- Average molar mass
- 302.28 g/mol
- Monoisotopic mass
- 302.10016753
Names & identifiers
- Preferred name
- 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol
- IUPAC
- 2,2-bis(hydroxymethyl)propane-1,3-diol;phthalic acid
- English name
- 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol
- Molecular formula
- C13H18O8
- Molecular weight
- 302.28
Names & synonyms
15015-84-6EINECS 239-101-11,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediolRefChem:71661239-101-1SCHEMBL84232272,2-bis(hydroxymethyl)propane-1,3-diol,phthalic acid1,2-Benzenedicarboxylic acid/2,2-bis(hydroxymethyl)-1,3-propanediol,(1:x)
Database identifiers
- CAS
15015-84-6- PubChem CID
- 84755
- EC Number
- 239-101-1
Properties
Computed structural properties
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,2-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol (15015-84-6)
- 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-Benzenedicarboxylic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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