2-Benzofuran-1,3-dione;benzoic acid;2-ethylhexanoic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
Basic information
- CAS
103733-68-2- Standard SMILES
CCC(CO)(CO)CO.CCCCC(CC)C(=O)O.O=C(O)c1ccccc1.O=C1OC(=O)c2ccccc21- InChIKey
OSGMQQSUMWTQFH-UHFFFAOYSA-N- Molecular formula
- C29H40O10
- Average molar mass
- 548.6 g/mol
Names & identifiers
- Preferred name
- 2-Benzofuran-1,3-dione;benzoic acid;2-ethylhexanoic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
- IUPAC
- 2-benzofuran-1,3-dione;benzoic acid;2-ethylhexanoic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
- English name
- 1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, polymer with 1,3-isobenzofurandione, benzoate 2-ethylhexanoate
- Molecular formula
- C29H40O10
- Molecular weight
- 548.6219
Names & synonyms
OSGMQQSUMWTQFH-UHFFFAOYSA-N2-benzofuran-1,3-dione;benzoic acid;2-ethylhexanoic acid;2-ethyl-2-(hydroxymethyl)propane-1,3-diol1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-, polymer with 1,3-isobenzofurandione, benzoate 2-ethylhexanoate
Database identifiers
- CAS
103733-68-2
Properties
Computed structural properties
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,3-Isobenzofurandione, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, benzoate 2-ethylhexanoate (103733-68-2)
- 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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