3-Methylbutyl 3-oxobutanoate

CAS Registry Number®

2308-18-1

CAS Name

3-Methylbutyl 3-oxobutanoate

Molecular Formula

C9H16O3

Molecular Mass

172.22

Cite this Page

3-Methylbutyl 3-oxobutanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2308-18-1 (retrieved 2024-11-21) (CAS RN: 2308-18-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    90-97 °C @ Press: 8 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H16O3/c1-7(2)4-5-12-9(11)6-8(3)10/h7H,4-6H2,1-3H3

InChIKey

InChIKey=XHRGPLDMNNGHCX-UHFFFAOYSA-N

SMILES

C(OCCC(C)C)(CC(C)=O)=O

Canonical SMILES

O=C(OCCC(C)C)CC(=O)C

Other Names for this Substance

  • Butanoic acid, 3-oxo-, 3-methylbutyl ester
  • Acetoacetic acid, isopentyl ester
  • Isopentyl alcohol, acetoacetate
  • 3-Methylbutyl 3-oxobutanoate
  • Isoamyl acetoacetate

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration