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369373

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.)

functional group

ester
phenyl

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

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General description

Pentaerythritol tetrabenzoate is an ester of pentaerythritol with benzoic acid. It has been reported as a metal ligand.[1] It has been tested as stationary phase for the quantitative analysis of naphthalene hydrocarbons by gas-liquid chromatography and molecular spectroscopy.[2]

Application

Plasticizer

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

369373-10KG:
369373-100G:
369373-1KG:
369373-VAR:
369373-BULK:
369373-250G:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCX0610
MKCW2737
MKCQ1382
MKCQ1334
MKCN0359

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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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