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Substance Name: Hexanedioic acid, mixed esters with C10-rich C9-11-isoalcs. and pentaerythritol
RN: 115984-51-5
InChIKey: FFZJWGDSUFBPRE-ADDNLYQESA-N

Classification Codes

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)
  • TSCA UVCB

Molecular Formula

  • C6-H10-O4.C5-H12-O4.Unspecified

Molecular Weight

  • 436.538
 
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Names and Synonyms

  • Hexanedioic acid, mixed esters with C10-rich C9-11-isoalcs. and pentaerythritol

Registry Numbers

CAS Registry Number

  • 115984-51-5

System Generated Number

  • 0115984515

Molecular Formulas

Molecular Formula

  • C6-H10-O4.C5-H12-O4.Unspecified

Molecular Formula Fragments

  • C5-H12-O4
  • C6-H10-O4
  • COMPONENT
  • Unspecified

Structure Descriptors

InChI

1S/C21H40O9/c1-15(14-22)10-6-4-3-5-9-13-29-17(24)11-7-8-12-18(25)30-21(28)20(27)19(26)16(2)23/h15-16,19-23,26-28H,3-14H2,1-2H3/t15-,16+,19+,20+,21-/m0/s1

InChIKey

FFZJWGDSUFBPRE-ADDNLYQESA-N

Smiles

C[C@@H](CCCCCCCOC(=O)CCCCC(=O)O[C@@H]([C@@H]([C@@H]([C@@H](C)O)O)O)O)CO