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Substance Name: Nonanoic acid, mixed esters with heptanoic acid, 2,2,4-trimethyl-1,3-pentanediol and valeric acid
RN: 70693-41-3
InChIKey: DDAHZULAHQUUGJ-OAQYLSRUSA-N

Classification Code

  • TSCA UVCB

Molecular Formula

  • C9-H18-O2.C8-H18-O2.C7-H14-O2.C5-H10-O2

Molecular Weight

  • 370.5698
 
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Names and Synonyms

  • Nonanoic acid, mixed esters with heptanoic acid, 2,2,4-trimethyl-1,3-pentanediol and valeric acid

Registry Numbers

CAS Registry Number

  • 70693-41-3

System Generated Number

  • 0070693413

Molecular Formulas

Molecular Formula

  • C9-H18-O2.C8-H18-O2.C7-H14-O2.C5-H10-O2

Molecular Formula Fragments

  • C5-H10-O2
  • C7-H14-O2
  • C8-H18-O2
  • C9-H18-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H42O4/c1-7-9-11-12-13-14-16-19(23)25-17-22(5,6)21(18(3)4)26-20(24)15-10-8-2/h18,21H,7-17H2,1-6H3/t21-/m1/s1

InChIKey

DDAHZULAHQUUGJ-OAQYLSRUSA-N

Smiles

CCCCCCCCC(=O)OCC(C)(C)[C@@H](C(C)C)OC(=O)CCCC