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Substance Name: Pentaerythritol tetraacetate
RN: 597-71-7
UNII: C4YXI01Z81
InChIKey: OUHCZCFQVONTOC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-O8

Molecular Weight

  • 304.293
 
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Names and Synonyms

Name of Substance

  • Pentaerythritol tetraacetate

Synonyms

  • 2,2-Bis((acetyloxy)methyl)-1,3-propanediol diacetate
  • 4-02-00-00264 (Beilstein Handbook Reference)
  • BRN 1804615
  • EINECS 209-907-8
  • Normo-level
  • Normosterol
  • NSC 1841
  • PAG
  • PAG [Romanian]
  • Pentaerythritol tetraacetate
  • T.A.P.E.
  • TAPE
  • Tetraacetil pentoetriol
  • Tetraacetil pentoetriol [Romanian]
  • Tetraacetyl pentestriol
  • UNII-C4YXI01Z81

Systematic Names

  • 1,3-Propanediol, 2,2-bis((acetyloxy)methyl)-, 1,3-diacetate
  • 1,3-Propanediol, 2,2-bis((acetyloxy)methyl)-, diacetate
  • Pentaerythritol tetraacetate

Registry Numbers

CAS Registry Number

  • 597-71-7

FDA UNII

  • C4YXI01Z81

System Generated Number

  • 0000597717

Structure Descriptors

InChI

1S/C13H20O8/c1-9(14)18-5-13(6-19-10(2)15,7-20-11(3)16)8-21-12(4)17/h5-8H2,1-4H3

InChIKey

OUHCZCFQVONTOC-UHFFFAOYSA-N

Smiles

O=C(OCC(COC(=O)C)(COC(=O)C)COC(=O)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4850mg/kg (4850mg/kg)   Revista Medico-Chirurgicala. Medical-Surgical Journal. Vol. 86, Pg. 322, 1982.
mouse LD50 oral 3500mg/kg (3500mg/kg)   Revista Medico-Chirurgicala. Medical-Surgical Journal. Vol. 86, Pg. 322, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 83.5 deg C   EXP
log P (octanol-water) 0.850 (none)   EST
Water Solubility 8220 mg/L 25 EXP
Atmospheric OH Rate Constant 7.52E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.