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Substance Name: Ethyl benzoylacetate
RN: 94-02-0
UNII: K8CHJ4MKM0
InChIKey: GKKZMYDNDDMXSE-UHFFFAOYSA-N

Molecular Formula

  • C11-H12-O3

Molecular Weight

  • 192.2128
 
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Names and Synonyms

Name of Substance

  • Ethyl benzoylacetate

Synonyms

  • 1-Ethoxy-3-phenylpropane-1,3-dione
  • 4-10-00-02756 (Beilstein Handbook Reference)
  • Acetic acid, benzoyl-, ethyl ester
  • AI3-01353
  • Benzenepropanoic acid, beta-oxo-, ethyl ester
  • Benzoylacetic acid ethyl ester
  • BRN 0389944
  • EINECS 202-295-3
  • Ethyl 3-oxo-3-phenylpropanoate
  • Ethyl 3-phenyl-3-oxopropanoate
  • Ethyl benzoyl acetate
  • Ethyl benzoylacetate
  • Ethyl beta-oxobenzenepropanoate
  • FEMA No. 2423
  • NSC 227214
  • UNII-K8CHJ4MKM0

Systematic Names

  • Acetic acid, benzoyl-, ethyl ester
  • Benzenepropanoic acid, beta-oxo-, ethyl ester
  • Ethyl benzoylacetate

Superlist Name

  • Ethyl benzoylacetate

Registry Numbers

CAS Registry Number

  • 94-02-0

FDA UNII

  • K8CHJ4MKM0

System Generated Number

  • 0000094020

Structure Descriptors

InChI

1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3

InChIKey

GKKZMYDNDDMXSE-UHFFFAOYSA-N

Smiles

CCOC(=O)CC(=O)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 6800mg/kg (6800mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 65, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 0.0 deg C   EXP
log P (octanol-water) 1.87 (none)   EXP
Water Solubility 1210 mg/L 25 EST
Henry's Law Constant 3.10E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.66E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.