Butanoic acid, 3-oxo-, (4-methoxyphenyl)methyl ester

CAS Registry Number®

61312-35-4

CAS Name

Butanoic acid, 3-oxo-, (4-methoxyphenyl)methyl ester

Molecular Formula

C12H14O4

Molecular Mass

222.24

Cite this Page

Butanoic acid, 3-oxo-, (4-methoxyphenyl)methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=61312-35-4 (retrieved 2024-11-22) (CAS RN: 61312-35-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    157-158 °C @ Press: 3 Torr

  • Density (1)

    1.1033 g/cm³ @ Temp: 17.2 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H14O4/c1-9(13)7-12(14)16-8-10-3-5-11(15-2)6-4-10/h3-6H,7-8H2,1-2H3

InChIKey

InChIKey=KDHRQKPVXJRBIX-UHFFFAOYSA-N

SMILES

C(OC(CC(C)=O)=O)C1=CC=C(OC)C=C1

Canonical SMILES

O=C(OCC1=CC=C(OC)C=C1)CC(=O)C

Other Names for this Substance

  • Butanoic acid, 3-oxo-, (4-methoxyphenyl)methyl ester
  • Acetoacetic acid, p-methoxybenzyl ester
  • p-Methoxybenzyl acetoacetate
  • 4-Methoxybenzyl acetoacetate
  • 4-Methoxybenzyl 3-oxobutanoate

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