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Substance Name: 2,2,4-trimethyl-1,3-pentanediol diisobutyrate
RN: 6846-50-0
UNII: 4KZA479DWQ
InChIKey: OMVSWZDEEGIJJI-UHFFFAOYSA-N

Note

  • Plasticizer in food packing materials.

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C16-H30-O4

Molecular Weight

  • 286.409
 
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Names and Synonyms

Name of Substance

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

Synonyms

  • 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
  • 2,2,4-Trimethylpentanediol-1,3-diisobutyrate
  • BRN 1878083
  • EC 229-934-9
  • EINECS 229-934-9
  • HSDB 8097
  • Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester
  • Kodaflex TXIB
  • TXIB
  • UNII-4KZA479DWQ

Systematic Names

  • 1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate (ester)
  • 1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate
  • Propanoic acid, 2-methyl-, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester
  • Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester

Superlist Names

  • 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
  • 2,2,4-Trimethyl-1,3-pentanediol ester
  • Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester

Registry Numbers

CAS Registry Number

  • 6846-50-0

FDA UNII

  • 4KZA479DWQ

Other Registry Number

  • 53490-81-6

System Generated Number

  • 0006846500

Structure Descriptors

InChI

1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3

InChIKey

OMVSWZDEEGIJJI-UHFFFAOYSA-N

Smiles

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