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Substance Name: Pentaerythritol tetraoctanoate
RN: 7299-99-2
UNII: XJ7052W897
InChIKey: DRRMRHKHTQRWMB-UHFFFAOYSA-N

Molecular Formula

  • C37-H68-O8

Molecular Weight

  • 640.936
 
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Names and Synonyms

Results Name

  • Pentaerythritol tetraoctanoate

Name of Substance

  • 2-Ethylhexanoic acid, 2,2-bis(((1-oxo-2-ethylhexyl)oxy)methyl)-1,3-propanediyl ester
  • Hexanoic acid, 2-ethyl-, 2,2-bis(((2-ethyl-1-oxohexyl)oxy)methyl)-1,3-propandiyl ester
  • Pentaerythritol tetraoctanoate
  • Pentaerythrityl tetraoctanoate

Synonyms

  • EC 230-743-8
  • EINECS 230-743-8
  • Pentaerythritol tetra(2-ethylhexanoate)
  • UNII-XJ7052W897

Systematic Names

  • 2,2-Bis(((2-ethyl-1-oxohexyl)oxy)methyl)propane-1,3-diyl bis(2-ethylhexanoate)
  • Hexanoic acid, 2-ethyl-, 1,1'-(2,2-bis(((2-ethyl-1-oxohexyl)oxy)methyl)-1,3-propanediyl) ester
  • Hexanoic acid, 2-ethyl-, 2,2-bis(((2-ethyl-1-oxohexyl)oxy)methyl)-1,3-propanediyl ester

Registry Numbers

CAS Registry Number

  • 7299-99-2

FDA UNII

  • XJ7052W897

Other Registry Number

  • 120097-45-2

System Generated Number

  • 0007299992

Structure Descriptors

InChI

1S/C37H68O8/c1-9-17-21-29(13-5)33(38)42-25-37(26-43-34(39)30(14-6)22-18-10-2,27-44-35(40)31(15-7)23-19-11-3)28-45-36(41)32(16-8)24-20-12-4/h29-32H,9-28H2,1-8H3

InChIKey

DRRMRHKHTQRWMB-UHFFFAOYSA-N

Smiles

C(COC(=O)[C@@H](CC)CCCC)(COC(=O)[C@@H](CC)CCCC)(COC(=O)[C@@H](CC)CCCC)COC(=O)[C@@H](CC)CCCC