Pentaerythritol tetrabenzoate

[3-benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate

CAS: 4196-86-5

Molecular Formula	`C33H28O8`
Molecular Weight	552.6 g/mol
LogP	6.5
Topological Polar Surface Area	105.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	16
Exact Mass	552.1784
Heavy Atoms	41
Complexity	704.0

Chemical Identifiers

CAS Number	4196-86-5
SMILES	`C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)(COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4`
InChIKey	`MINJAOUGXYRTEI-UHFFFAOYSA-N`

📖 Product Overview

Pentaerythritol tetrabenzoate (CAS: 4196-86-5) is a chemical compound with molecular formula C33H28O8 and molecular weight 552.6 g/mol. Its IUPAC systematic name is [3-benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate. LogP 6.5 Topological Polar Surface Area 105.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 16 Exact Mass 552.1784 Heavy Atoms 41 Complexity 704.0 InChI Key: MINJAOUGXYRTEI-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)(COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4.

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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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