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Substance Name: Decanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol 2-ethylhexanoate octanoate
RN: 68130-25-6
InChIKey: ZEOWPIKNYCFOEQ-UHFFFAOYSA-N

Molecular Formula

  • C10-H20-O2.x-C8-H16-O2.x-C8-H16-O2.x-C5-H12-O4

Molecular Weight

  • 582.81
 
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Names and Synonyms

Synonyms

  • EINECS 268-582-0
  • Pentaerythritol 2-ethylhexanoate octanoate decanoate
  • Pentaerythritol, 2-ethylhexanoic acid,caprylic acid, capric acid mixed ester

Systematic Name

  • Decanoic acid, ester with 2,2-bis(hydroxymethyl)-1,3-propanediol 2-ethylhexanoate octanoate

Registry Numbers

CAS Registry Number

  • 68130-25-6

Other Registry Number

  • 172489-56-4

System Generated Number

  • 0068130256

Molecular Formulas

Molecular Formula

  • C10-H20-O2.x-C8-H16-O2.x-C8-H16-O2.x-C5-H12-O4

Molecular Formula Fragments

  • C10-H20-O2
  • C5-H12-O4
  • C8-H16-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C9H18O2.2C8H16O2.C5H12O4/c1-2-3-4-5-6-7-8-9(10)11;1-3-5-6-7(4-2)8(9)10;1-2-3-4-5-6-7-8(9)10;6-1-5(2-7,3-8)4-9/h2-8H2,1H3,(H,10,11);7H,3-6H2,1-2H3,(H,9,10);2-7H2,1H3,(H,9,10);6-9H,1-4H2

InChIKey

ZEOWPIKNYCFOEQ-UHFFFAOYSA-N

Smiles

CCCCCCCCC(=O)O.CCCC[C@@H](C(=O)O)CC.CCCCCCCC(O)=O.OCC(CO)(CO)CO