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Substance Name: Isobutyraldehyde trimer
RN: 77-68-9
UNII: 9LJI14453C
InChIKey: DAFHKNAQFPVRKR-UHFFFAOYSA-N

Molecular Formula

  • C12-H24-O3

Molecular Weight

  • 216.319
 
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Names and Synonyms

Results Name

  • Isobutyraldehyde trimer

Name of Substance

  • 2,2,4-Trimethyl-1,3-pentanediol 1-isobutyrate

Synonyms

  • 1,3-Pentanediol, 2,2,4-trimethyl-, 1-isobutyrate
  • EINECS 201-049-2
  • Isobutyraldehyde trimer
  • UNII-9LJI14453C

Systematic Names

  • 3-Hydroxy-2,2,4-trimethylpentyl isobutyrate
  • Propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester

Registry Numbers

CAS Registry Number

  • 77-68-9

FDA UNII

  • 9LJI14453C

Other Registry Number

  • 80525-37-7

System Generated Number

  • 0000077689

Structure Descriptors

InChI

1S/C12H24O3/c1-8(2)10(13)12(5,6)7-15-11(14)9(3)4/h8-10,13H,7H2,1-6H3

InChIKey

DAFHKNAQFPVRKR-UHFFFAOYSA-N

Smiles

O(CC([C@@H](O)C(C)C)(C)C)C(C(C)C)=O