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CAS No 503-74-2 , 3-methylbutanoic acid

  • Name: 3-methylbutanoic acid
  • Synonyms: 503-74-2; Delphinic acid; 3-Methylbutyric acid; 3-methyl-;3-Methylbutanoic acid; Isopentanoic acid; Butanoic acid; Isopropylacetic acid;3-methylbutanoic acid;
  • CAS Registry Number:
  • Transport: UN 3265
  • Melting Point: -35 ºC
  • Flash Point: 70 ºC
  • Boiling Point: 176 ºC
  • Density: 0.926
  • Refractive index: 1.399-1.407
  • Water Solubility: 25 G/L (20 ºC)
  • Safety Statements: R22;R24;R34
  • Hazard Symbols: C: Corrosive;T: Toxic;
  • Flash Point: 70 ºC
  • EINECS: 207-975-3
  • Molecular Weight: 102.1317
  • InchiKey: GWYFCOCPABKNJV-UHFFFAOYSA-N
  • InChI: InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
  • Risk Statements: S26;S28A;S36/37/39;S38;S45
  • Molecular Formula: C5H10O2
  • Molecular Structure:CAS No:503-74-2 3-methylbutanoic acid

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References of 3-methylbutanoic acid
Title: Isovaleric Acid
CAS Registry Number: 503-74-2
CAS Name: 3-Methylbutanoic acid
Synonyms: isovalerianic acid; isopropylacetic acid; delphinic acid
Molecular Formula: C5H10O2
Molecular Weight: 102.13
Percent Composition: C 58.80%, H 9.87%, O 31.33%
Line Formula: (CH3)2CHCH2COOH
Literature References: Occurs in hop oil, tobacco and several other plants: Schmeltz et al., J. Assoc. Off. Agric. Chem. 46, 779 (1963). Prepn: Caldwell, US 2484486 (1949 to Kodak); Gustak, Sajko, Ark. Kemi 24, 11 (1952), C.A. 49, 163e (1955); L'vov et al., Zh. Prikl. Khim. 35, 700 (1962). "Valeric" acid of commerce is isovaleric acid. Toxicity data: L. Or?, A. Wretlind, Acta Pharmacol. Toxicol. 18, 141 (1961).
Properties: Liquid. Acid taste; disagreeable, rancid-cheese odor. d420 0.931. mp -37°. bp 175-177°. nD20 1.4043. Sol in 24 parts water; sol in alcohol, chloroform, ether. Keep tightly closed. LD50 i.v. in mice: 1120±30 mg/kg (Or?, Wretlind).
Melting point: mp -37°
Boiling point: bp 175-177°
Index of refraction: nD20 1.4043
Density: d420 0.931
Toxicity data: LD50 i.v. in mice: 1120±30 mg/kg (Or?, Wretlind)
Use: In flavors, perfumes, manuf sedatives.