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Substance Name: ethyl 2-methylpropanoate
RN: 97-62-1
UNII: 9A9661LN4H
InChIKey: WDAXFOBOLVPGLV-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H12-O2

Molecular Weight

  • 116.159
 
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Names and Synonyms

Name of Substance

  • Ethyl 2-methylpropanoate

Synonyms

  • 4-02-00-00846 (Beilstein Handbook Reference)
  • AI3-06121
  • BRN 0773846
  • EINECS 202-595-4
  • Ethyl 2,2-dimethylacetate
  • Ethyl 2-methylpropanoate
  • Ethyl 2-methylpropionate
  • Ethyl isobutanoate
  • Ethyl isobutyrate
  • Ethyl isobutyrate (natural)
  • FEMA No. 2428
  • Isobutyric acid, ethyl ester
  • NSC 97194
  • Propanoic acid, 2-methyl-, ethyl ester
  • Propionic acid, 2-methyl-, ethyl ester
  • UNII-9A9661LN4H

Systematic Names

  • Ethyl isobutyrate
  • Isobutyric acid, ethyl ester
  • Propanoic acid, 2-methyl-, ethyl ester

Superlist Names

  • Ethyl isobutyrate
  • Ethyl isobutyrate [UN2385] [Flammable liquid]
  • Propanoic acid, 2-methyl-, ethyl ester
  • UN2385

Registry Numbers

CAS Registry Number

  • 97-62-1

FDA UNII

  • 9A9661LN4H

System Generated Number

  • 0000097621

Structure Descriptors

InChI

1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3

InChIKey

WDAXFOBOLVPGLV-UHFFFAOYSA-N

Smiles

C(OCC)(C(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 741, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.82E+01 deg C   EXP
Boiling Point 110.1 deg C   EXP
log P (octanol-water) 1.770 (none)   EST
Water Solubility 3170 mg/L 25 EST
Vapor Pressure 25.4 mm Hg 25 EXP
Henry's Law Constant 4.10E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.60E-12 cm3/molecule-sec 25 EST

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