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

CAS Registry Number®

6846-50-0

CAS Name

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

Molecular Formula

C16H30O4

Molecular Mass

286.41

Cite this Page

2,2,4-Trimethyl-1,3-pentanediol diisobutyrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6846-50-0 (retrieved 2024-11-21) (CAS RN: 6846-50-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    280 °C

  • Density (2)

    0.941 g/cm³

Source(s)

Other Names and Identifiers

InChI

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

InChIKey=OMVSWZDEEGIJJI-UHFFFAOYSA-N

SMILES

C(C(COC(C(C)C)=O)(C)C)(OC(C(C)C)=O)C(C)C

Canonical SMILES

O=C(OCC(C)(C)C(OC(=O)C(C)C)C(C)C)C(C)C

Other Names for this Substance

  • Propanoic acid, 2-methyl-, 1,1′-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester
  • Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester
  • Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester
  • 1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate
  • Kodaflex TXIB

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Deleted or Replaced CAS Registry Numbers

53490-81-6, 939776-40-6, 1206955-85-2

CAS INSIGHTSTM
Targeted protein degrader structure, illustration