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Substance Name: Pentaerythritol behenate
RN: 53161-46-9
UNII: HN66T7Z22J
InChIKey: ZKIVRAADAKTRIO-UHFFFAOYSA-N

Molecular Formula

  • C27-H54-O5

Molecular Weight

  • 458.719
 
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Names and Synonyms

Name of Substance

  • Pentaerythritol behenate

Synonyms

  • EINECS 258-401-3
  • Pentaerythritol monobehenate
  • UNII-HN66T7Z22J

Systematic Names

  • 3-Hydroxy-2,2-bis(hydroxymethyl)propyl docosanoate
  • Docosanoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester

Registry Numbers

CAS Registry Number

  • 53161-46-9

FDA UNII

  • HN66T7Z22J

System Generated Number

  • 0053161469

Structure Descriptors

InChI

1S/C27H54O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(31)32-25-27(22-28,23-29)24-30/h28-30H,2-25H2,1H3

InChIKey

ZKIVRAADAKTRIO-UHFFFAOYSA-N

Smiles

O(C(=O)CCCCCCCCCCCCCCCCCCCCC)CC(CO)(CO)CO