Ethyl benzoylacetate

C11H12O3CAS 94-02-0192.21 g/mol

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EsterKetone

Properties

Molecular formula
C11H12O3
Molar mass
192.21 g/mol
Exact mass
192.0786 Da
Density
0.9678 g/mL (at 15 °C)
Melting point
below 0 °C
Boiling point
167 °C
logP
1.82Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Not classified as hazardous under GHS by 109 ECHA notifiers. Aggregated from 109 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
94-02-0
SMILES
CCOC(=O)CC(=O)c1ccccc1
InChIKey
GKKZMYDNDDMXSE-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

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Names and synonyms

15 names · show all
  • Benzenepropanoic acid, β-oxo-, ethyl ester
  • Acetic acid, benzoyl-, ethyl ester
  • Benzoylacetic acid ethyl ester
  • Ethyl β-oxobenzenepropanoate
  • 1-Ethoxy-3-phenylpropane-1,3-dione
  • Ethyl 3-oxo-3-phenylpropanoate
  • Ethyl 3-oxo-3-phenylpropionate
  • β-Oxobenzenepropanoic acid ethyl ester
  • 3-Oxo-3-phenylpropionic acid ethyl ester
  • NSC 227214
  • NSC 6774
  • 3-Oxo-3-phenylpropanoic acid ethyl ester
  • Ethyl 2-benzoylacetate
  • Ethyl 3-phenyl-3-oxopropanoate
  • 3-Phenyl-3-oxopropanoic acid ethyl ester

Reactions

Work with Ethyl benzoylacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Oxo-3-M-tolyl-propionic acid ethyl ester33166-79-973 % similar Ethyl 3-(4-pyridyl)-3-oxopropionate26377-17-371 % similar 3-Oxo-3-P-tolyl-propionic acid ethyl ester27835-00-371 % similar Ethyl 4-fluoro-β-oxobenzenepropanoate1999-00-469 % similar Ethyl 3-(4-bromophenyl)-3-oxopropanoate26510-95-269 % similar 3-(4-Chloro-phenyl)-3-oxo-propionic acid ethyl ester2881-63-269 % similar 3-(3-Bromo-phenyl)-3-oxo-propionic acid ethyl ester21575-91-768 % similar 3-(3-Fluoro-phenyl)-3-oxo-propionic acid ethyl ester33166-77-768 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dehydrozingerone1080-12-2 Helional1205-17-0 Ethyl 3-phenylglycidate121-39-1 (3-Methoxyphenyl)methyl 2-propenoate144261-46-1 δ-Oxobenzenepentanoic acid1501-05-9 Methyl 2-phenylacetoacetate16648-44-5 1-(4-Methoxyphenyl)cyclopropanecarboxylic acid16728-01-1 5,6-Dimethoxy-1-indanone2107-69-9

Elsewhere

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