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Substance Name: Heptanoic acid, mixed esters with butyric acid and pentaerythritol
RN: 68937-22-4
InChIKey: BKRSVSWPEAFCKQ-UHFFFAOYSA-N

Classification Code

  • TSCA UVCB

Molecular Formula

  • C7-H14-O2.C5-H12-O4.C4-H8-O2

Molecular Weight

  • 354.437
 
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Names and Synonyms

Synonym

  • EINECS 273-056-9

Systematic Name

  • Heptanoic acid, mixed esters with butyric acid and pentaerythritol

Registry Numbers

CAS Registry Number

  • 68937-22-4

System Generated Number

  • 0068937224

Molecular Formulas

Molecular Formula

  • C7-H14-O2.C5-H12-O4.C4-H8-O2

Molecular Formula Fragments

  • C4-H8-O2
  • C5-H12-O4
  • C7-H14-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C7H14O2.C5H12O4.C4H8O2/c1-2-3-4-5-6-7(8)9;6-1-5(2-7,3-8)4-9;1-2-3-4(5)6/h2-6H2,1H3,(H,8,9);6-9H,1-4H2;2-3H2,1H3,(H,5,6)

InChIKey

BKRSVSWPEAFCKQ-UHFFFAOYSA-N

Smiles

OC(CCCCCC)=O.OC(CCC)=O.OCC(CO)(CO)CO