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Substance Name: Isohexadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
RN: 68957-80-2
InChIKey: HQMSGQNZOKIETL-UHFFFAOYSA-N

Molecular Formula

  • C37-H72-O4

Molecular Weight

  • 580.972
 
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Names and Synonyms

Synonyms

  • EINECS 273-365-9
  • Neopentyl diisopalmitate
  • Neopentyl glycol diisopalmitate

Systematic Names

  • 2,2-Dimethyl-1,3-propanediyl diisohexadecanoate
  • Isohexadecanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester
  • Isohexadecanoic acid, 2,2-dimethyl-1,3-propanediyl ester

Registry Numbers

CAS Registry Number

  • 68957-80-2

System Generated Number

  • 0068957802

Structure Descriptors

InChI

1S/C37H72O4/c1-33(2)27-23-19-15-11-7-9-13-17-21-25-29-35(38)40-31-37(5,6)32-41-36(39)30-26-22-18-14-10-8-12-16-20-24-28-34(3)4/h33-34H,7-32H2,1-6H3

InChIKey

HQMSGQNZOKIETL-UHFFFAOYSA-N

Smiles

CC(C)CCCCCCCCCCCCC(OCC(COC(CCCCCCCCCCCCC(C)C)=O)(C)C)=O