Pentaerythritol, dibenzoate structure

Pentaerythritol, dibenzoate

[2-(benzoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzoate

Also Known As: Pentaerythrite dibenzoate|Pentaerythritol, dibenzoate|Dwubenzoesan pentaery trytu|Pentaerythritol dibenzoate|Dwubenzoesan pentaery trytu [Polish]|3-09-00-00688 (Beilstein Handbook Reference)|2,2-Bis(hydroxymethyl)propane-1,3-diyl dibenzoate|2,2-bis(benzoyloxymethyl)-1,3-propanediol|2,2-Bis(phenylcarboxymethyl)propane-1,3-diol|J1.525.237E|2,2-dihydroxymethyl-1,3-propandiol dibenzoate|1,3-Propanediol, 2-((benzoyloxy)methyl)-2-(hydroxymethyl)-, 1-benzoate|A1-130408|Dibenzoic acid 2,2-bis(hydroxymethyl)trimethylene ester|[2-(benzoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzoate|1,3-Propanediol, 2-[(benzoyloxy)methyl]-2-(hydroxymethyl)-, 1-benzoate|2-[(BENZOYLOXY)METHYL]-3-HYDROXY-2-(HYDROXYMETHYL)PROPYL BENZOATE

CAS: 76597-90-5
Molecular Formula C19H20O6
Molecular Weight 344.12598 g/mol
LogP 1.6714
Topological Polar Surface Area 93.06 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 8
Exact Mass 344.12598
Monoisotopic Mass 344.12598
Heavy Atoms 25
Complexity 622.0752

Chemical Identifiers

CAS Number 76597-90-5
SMILES C1=CC=C(C=C1)C(=O)OCC(CO)(CO)COC(=O)C2=CC=CC=C2

Product Overview

Pentaerythritol, dibenzoate (CAS 76597-90-5), with molecular formula C19H20O6 and molecular weight 344.12598 g/mol. IUPAC: [2-(benzoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] benzoate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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