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CAS No 105-45-3 , methyl 3-oxobutanoate

  • Name: methyl 3-oxobutanoate
  • Synonyms: 3-oxo-; methyl ester;methyl 3-oxobutanoate;Methyl 3-oxobutanoate; Acetoacetic acid methyl ester; 105-45-3; Methyl 3-oxobutyrate; Butanoic acid;
  • CAS Registry Number:
  • Melting Point: -80 ºC
  • Flash Point: 67 ºC
  • Boiling Point: 169-170 ºC
  • Density: 1.077
  • Refractive index: 1.4175-1.4295
  • Water Solubility: 460 G/L (20 ºC)
  • Safety Statements: R36
  • Hazard Symbols: Xi: Irritant;
  • HS Code: 29183000
  • Flash Point: 67 ºC
  • EINECS: 203-299-8
  • Molecular Weight: 116.11522
  • InchiKey: WRQNANDWMGAFTP-UHFFFAOYSA-N
  • InChI: InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3
  • Risk Statements: S26
  • Molecular Formula: C5H8O3
  • Molecular Structure:CAS No:105-45-3 methyl 3-oxobutanoate

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References of methyl 3-oxobutanoate
Title: Methyl Acetoacetate
CAS Registry Number: 105-45-3
CAS Name: 3-Oxobutanoic acid methyl ester
Molecular Formula: C5H8O3
Molecular Weight: 116.12
Percent Composition: C 51.72%, H 6.94%, O 41.33%
Line Formula: CH3COCH2COOCH3
Literature References: Toxicity data: H. F. Smyth, C. P. Carpenter, J. Ind. Hyg. Toxicol. 30, 63 (1948).
Properties: Liquid. d 1.078-1.080. bp 169-171° (slight dec). mp -80°. nD20 1.418. Flash pt 82°C. Sol in 2 parts water; miscible with alc, ether; gives a deep red color with FeCl3. LD50 orally in rats: 3.0 g/kg (Smyth, Carpenter).
Melting point: mp -80°
Boiling point: bp 169-171° (slight dec)
Flash point: Flash pt 82°C
Index of refraction: nD20 1.418
Density: d 1.078-1.080
Toxicity data: LD50 orally in rats: 3.0 g/kg (Smyth, Carpenter)