3-Hydroxy-2,2,4-trimethylpentyl isobutyrate

CAS Registry Number®

77-68-9
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CAS Name

3-Hydroxy-2,2,4-trimethylpentyl isobutyrate

Molecular Formula

C12H24O3

Molecular Mass

216.32

Cite this Page

3-Hydroxy-2,2,4-trimethylpentyl isobutyrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=77-68-9 (retrieved 2024-05-08) (CAS RN: 77-68-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    129-132 °C @ Press: 15 Torr

Source(s)

Other Names and Identifiers

InChI

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

InChIKey=DAFHKNAQFPVRKR-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester
  • Isobutyric acid, 3-hydroxy-2,2,4-trimethylpentyl ester
  • 1,3-Pentanediol, 2,2,4-trimethyl-, 1-isobutyrate
  • Isobutyraldehyde trimer
  • 2,2,4-Trimethyl-1,3-pentanediol 1-isobutyrate

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Deleted or Replaced CAS Registry Numbers

80525-37-7

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