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Substance Name: Methyl isobutyrate
RN: 547-63-7
UNII: EM286QL922
InChIKey: BHIWKHZACMWKOJ-UHFFFAOYSA-N

Molecular Formula

  • C5-H10-O2

Molecular Weight

  • 102.132
 
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Names and Synonyms

Name of Substance

  • Methyl isobutyrate

Synonyms

  • 4-02-00-00846 (Beilstein Handbook Reference)
  • BRN 1740720
  • EINECS 208-929-5
  • FEMA No. 2694
  • Isobutyric acid, methyl ester
  • Methyl 2-methylpropanoate
  • Methyl 2-methylpropionate
  • Methyl isobutanoate
  • Methyl isobutyrate
  • Methyl isobutyrate (natural)
  • Methylester kyseliny isomaselne
  • Methylester kyseliny isomaselne [Czech]
  • NSC 126780
  • Propanoic acid, 2-methyl-, methyl ester
  • UNII-EM286QL922

Systematic Names

  • Isobutyric acid, methyl ester
  • Methyl isobutyrate
  • Propanoic acid, 2-methyl-, methyl ester

Superlist Name

  • Methyl isobutyrate

Registry Numbers

CAS Registry Number

  • 547-63-7

FDA UNII

  • EM286QL922

System Generated Number

  • 0000547637

Structure Descriptors

InChI

InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3

InChIKey

BHIWKHZACMWKOJ-UHFFFAOYSA-N

Smiles

COC(=O)C(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 25500mg/m3/2H (25500mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 84, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.47E+01 deg C   EXP
Boiling Point 92.5 deg C   EXP
log P (octanol-water) 1.280 (none)   EST
Water Solubility 9270 mg/L 25 EST
Vapor Pressure 49.3 mm Hg 25 EXP
Henry's Law Constant 3.09E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.15E-12 cm3/molecule-sec 25 EST

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