Pentaerythritol, tetrabenzoate

CAS Registry Number®

4196-86-5

CAS Name

Pentaerythritol, tetrabenzoate

Molecular Formula

C33H28O8

Molecular Mass

552.57

Cite this Page

Pentaerythritol, tetrabenzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4196-86-5 (retrieved 2024-11-22) (CAS RN: 4196-86-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    94.8 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=MINJAOUGXYRTEI-UHFFFAOYSA-N

SMILES

C(COC(=O)C1=CC=CC=C1)(COC(=O)C2=CC=CC=C2)(COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4

Canonical SMILES

O=C(OCC(COC(=O)C=1C=CC=CC1)(COC(=O)C=2C=CC=CC2)COC(=O)C=3C=CC=CC3)C=4C=CC=CC4

Other Names for this Substance

  • 1,3-Propanediol, 2,2-bis[(benzoyloxy)methyl]-, 1,3-dibenzoate
  • Pentaerythritol, tetrabenzoate
  • 1,3-Propanediol, 2,2-bis[(benzoyloxy)methyl]-, dibenzoate
  • Benzoflex S 552
  • NSC 166502

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Deleted or Replaced CAS Registry Numbers

1579279-32-5

CAS INSIGHTSTM
Targeted protein degrader structure, illustration