Butanoic acid, 2-acetyl-3-methyl-, ethyl ester

CAS Registry Number®

1522-46-9

CAS Name

Butanoic acid, 2-acetyl-3-methyl-, ethyl ester

Molecular Formula

C9H16O3

Molecular Mass

172.22

Cite this Page

Butanoic acid, 2-acetyl-3-methyl-, ethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1522-46-9 (retrieved 2024-11-21) (CAS RN: 1522-46-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    201 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C9H16O3/c1-5-12-9(11)8(6(2)3)7(4)10/h6,8H,5H2,1-4H3

InChIKey

InChIKey=DMIFFKCVURTPTG-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Butanoic acid, 2-acetyl-3-methyl-, ethyl ester
  • Acetoacetic acid, 2-isopropyl-, ethyl ester
  • Isovaleric acid, α-acetyl-, Et ester
  • Ethyl α-isopropylacetoacetate
  • Ethyl 2-isopropylacetoacetate

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Deleted or Replaced CAS Registry Numbers

152548-74-8

CAS INSIGHTSTM
Targeted protein degrader structure, illustration