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Sigma-Aldrich

Pentaerythritol tetrabenzoate

96%

Synonym(s):

Benzoflex S 552, Pentaerythrityl tetrabenzoate, [3-Benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate

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About This Item

Linear Formula:
(C6H5CO2CH2)4C
CAS Number:
4196-86-5
Molecular Weight:
552.57
EC Number:
224-079-8
MDL number:
MFCD00020676
UNSPSC Code:
12352100
PubChem Substance ID:
24862964
NACRES:
NA.22

assay

96%

form

solid

mp

102-104 °C (lit.)

SMILES string

O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c2ccccc2)COC(=O)c3ccccc3)c4ccccc4

InChI

1S/C33H28O8/c34-29(25-13-5-1-6-14-25)38-21-33(22-39-30(35)26-15-7-2-8-16-26,23-40-31(36)27-17-9-3-10-18-27)24-41-32(37)28-19-11-4-12-20-28/h1-20H,21-24H2

InChI key

MINJAOUGXYRTEI-UHFFFAOYSA-N

Related Categories

General description

Pentaerythritol tetrabenzoate is an ester of pentaerythritol with benzoic acid. It has been reported as a metal ligand. It has been tested as stationary phase for the quantitative analysis of naphthalene hydrocarbons by gas-liquid chromatography and molecular spectroscopy.

Application

Plasticizer

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Structure of pentaerythritol tetrabenzoate.
Bormann LM, et al.
Acta Crystallographica Section C, Structural Chemistry, 49(11), 1982-1985 (1993)
Quantitative analysis of C 10-C 12 naphthalene hydrocarbons using gas chromatography and molecular spectroscopy.
Vaisberg KM, et al.
Chemistry and Technology of Fuels and Oils, 1(9), 736-740 (1965)

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