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Substance Name: Propanoic acid, 2-methyl-, ester with 2,2,4-trimethyl-1,3-pentanediol monobenzoate
RN: 35164-39-7
InChIKey: FFSJSGNXYKUSCQ-UHFFFAOYSA-N

Molecular Formula

  • C19-H28-O4

Molecular Weight

  • 320.426
 
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Names and Synonyms

Synonyms

  • 2,2,4-Trimethyl-1,3-pentanediol benzoate isobutyrate
  • 2,2,4-Trimethyl-1,3-pentanediol monobenzoate isobutyrate
  • EINECS 252-412-7

Systematic Names

  • Isobutyric acid, ester with 2,2,4-trimethylpentane-1,3-diol benzoate
  • Propanoic acid, 2-methyl-, ester with 2,2,4-trimethyl-1,3-pentanediol monobenzoate

Registry Numbers

CAS Registry Number

  • 35164-39-7

Other Registry Number

  • 1942072-69-6

System Generated Number

  • 0035164397

Structure Descriptors

InChI

1S/C19H28O4/c1-13(2)16(19(5,6)12-22-17(20)14(3)4)23-18(21)15-10-8-7-9-11-15/h7-11,13-14,16H,12H2,1-6H3

InChIKey

FFSJSGNXYKUSCQ-UHFFFAOYSA-N

Smiles

O=C(c1ccccc1)O[C@@H](C(COC(=O)C(C)C)(C)C)C(C)C