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CAS No 141-97-9 , ethyl 3-oxobutanoate

  • Name: ethyl 3-oxobutanoate
  • Synonyms: ethyl 3-oxobutyrate; ethyl acetylacetate; acetoacetic acid; Acetoacetic ester; diacetic ether; ethyl ester;ethyl 3-oxobutanoate;
  • CAS Registry Number:
  • Transport: UN 1993
  • Melting Point: -45 ºC
  • Flash Point: 70 ºC
  • Boiling Point: 180 ºC
  • Density: 1.021
  • Refractive index: 1.418-1.42
  • Water Solubility: 116 G/L (20 ºC)
  • Safety Statements: 26-24/25
  • Hazard Symbols: Xi:Irritant;
  • Flash Point: 70 ºC
  • EINECS: 205-516-1
  • Molecular Weight: 130.1418
  • InchiKey: XYIBRDXRRQCHLP-UHFFFAOYSA-N
  • InChI: InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
  • Risk Statements: S24/25
  • Molecular Formula: C6H10O3
  • Molecular Structure:CAS No:141-97-9 ethyl 3-oxobutanoate

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References of ethyl 3-oxobutanoate
Title: Ethyl Acetoacetate
CAS Registry Number: 141-97-9
CAS Name: 3-Oxobutanoic acid ethyl ester
Synonyms: acetoacetic acid ethyl ester; acetoacetic ester; ethyl 3-oxobutanoate
Molecular Formula: C6H10O3
Molecular Weight: 130.14
Percent Composition: C 55.37%, H 7.75%, O 36.88%
Line Formula: CH3COCH2COOC2H5
Literature References: Only the equilibrium mixture of the keto and enol forms is described here. Prepd from ethyl acetate by the action of sodium, sodium ethoxide, sodamide, or calcium: Inglis, Roberts, Org. Synth. coll. vol. I, 235 (2nd ed., 1941); Hansley, Schott, US 2843623 (1958 to Natl. Distillers); Scheibler, Ann. 565, 176 (1949); Gattermann-Wieland, Praxis des Organischen Chemikers (de Gruyter, Berlin, 40th ed., 1961) p 218. Discussion of keto-enol tautomerism: Ward, J. Chem. Educ. 39, 95 (1962). Toxicity study: H. F. Smyth et al., J. Ind. Hyg. Toxicol. 31, 60 (1949).
Properties: Liq. Agreeable odor. d410 1.0357; d417 1.0288; d425 1.0213; d454 0.9924; d475 0.9703. mp -45°. bp760 180.8°; bp400 158.2°; bp200 138.0°; bp60 106°; bp20 81.1°; bp5 54.0°; bp1.0 28.5°. nD20 1.41937. Absorption spectrum: Morton, Rosney, J. Chem. Soc. 1926, 711. Flash pt, closed cup: 184°F. Sol in about 35 parts water; misc with the usual organic solvents. LD50 orally in rats: 3.98 g/kg (Smyth).
Melting point: mp -45°
Boiling point: bp760 180.8°; bp400 158.2°; bp200 138.0°; bp60 106°; bp20 81.1°; bp5 54.0°; bp1.0 28.5°
Flash point: Flash pt, closed cup: 184°F
Index of refraction: nD20 1.41937
Density: d410 1.0357; d417 1.0288; d425 1.0213; d454 0.9924; d475 0.9703
Toxicity data: LD50 orally in rats: 3.98 g/kg (Smyth)
CAUTION: Moderately irritating to skin, mucous membranes.