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Substance Name: 2-Ethylbutyric acid
RN: 88-09-5
UNII: IDY8B990KE
InChIKey: OXQGTIUCKGYOAA-UHFFFAOYSA-N

Molecular Formula

  • C6-H12-O2

Molecular Weight

  • 116.159
 
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Names and Synonyms

Results Name

  • 2-Ethylbutyric acid

Name of Substance

  • 2-Ethylbutyric acid

Synonyms

  • 2-Ethyl butanoic acid
  • 2-Ethylbutanoic acid
  • 2-Ethylbutyric acid
  • 3-Pentanecarboxylic acid
  • 4-02-00-00950 (Beilstein Handbook Reference)
  • Acetic acid, diethyl-
  • AI3-04629
  • alpha-Ethylbutyric acid
  • alpha-Ethylbuytyric acid
  • BRN 1098634
  • Butanoic acid, 2-ethyl-
  • Butyric acid, 2-ethyl-
  • Diethylacetic acid
  • EINECS 201-796-4
  • FEMA No. 2429
  • Kyselina diethyloctova
  • Kyselina diethyloctova [Czech]
  • NSC 11765
  • UNII-IDY8B990KE

Systematic Names

  • 2-Ethylbutyric acid
  • Butanoic acid, 2-ethyl-
  • Butyric acid, 2-ethyl-

Superlist Names

  • 2-Ethylbutyric acid
  • Butanoic acid, 2-ethyl-

Registry Numbers

CAS Registry Number

  • 88-09-5

FDA UNII

  • IDY8B990KE

Other Registry Number

  • 134331-89-8

System Generated Number

  • 0000088095

Structure Descriptors

InChI

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

InChIKey

OXQGTIUCKGYOAA-UHFFFAOYSA-N

Smiles

CCC(CC)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 520uL/kg (0.52mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 2200mg/kg (2200mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.18E+01 deg C   EXP
Boiling Point 194 deg C   EXP
pKa Dissociation Constant 4.71 (none) 20 EXP
log P (octanol-water) 1.68 (none)   EXP
Water Solubility 1.80E+04 mg/L 20 EXP
Vapor Pressure 0.188 mm Hg 25 EXP
Henry's Law Constant 1.60E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.35E-12 cm3/molecule-sec 25 EST

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