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Substance Name: 2-Ethylbutyraldehyde
RN: 97-96-1
UNII: 676JY5569P
InChIKey: UNNGUFMVYQJGTD-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C6-H12-O

Molecular Weight

  • 100.1598
 
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Names and Synonyms

Name of Substance

  • 2-Ethylbutyraldehyde

Synonyms

  • 2-Ethylbutanal
  • 2-Ethylbutyraldehyde
  • 2-Ethylbutyric aldehyde
  • 2-Ethylbutyric aledhyde
  • 3-Formylpentane
  • 4-01-00-03310 (Beilstein Handbook Reference)
  • Aldehyde 2-ethylbutyrique
  • Aldehyde 2-ethylbutyrique [French]
  • alpha-Ethylbutanal
  • alpha-Ethylbutyraldehyde
  • BRN 1209330
  • Butanal, 2-ethyl-
  • Butyraldehyde, 2-ethyl-
  • Diethyl acetaldehyde
  • Diethylacetaldehyde
  • EINECS 202-623-5
  • Ethyl butyraldehyde
  • FEMA No. 2426
  • NSC 6757
  • UNII-676JY5569P

Systematic Names

  • 2-Ethylbutyraldehyde
  • Butanal, 2-ethyl-
  • Butyraldehyde, 2-ethyl-

Superlist Names

  • 2-Ethylbutyraldehyde
  • 2-Ethylbutyraldehyde [UN1178] [Flammable liquid]
  • Butanal, 2-ethyl-
  • UN1178

Registry Numbers

CAS Registry Number

  • 97-96-1

FDA UNII

  • 676JY5569P

System Generated Number

  • 0000097961

Structure Descriptors

InChI

1S/C6H12O/c1-3-6(4-2)5-7/h5-6H,3-4H2,1-2H3

InChIKey

UNNGUFMVYQJGTD-UHFFFAOYSA-N

Smiles

C(CC)(CC)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 5990uL/kg (5.99mL/kg)   Union Carbide Data Sheet. Vol. 12/14/1971,
rat LCLo inhalation 8000ppm/4H (8000ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.
rat LD50 oral 3980mg/kg (3980mg/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.730 (none)   EST
Water Solubility 3930 mg/L 25 EST
Vapor Pressure 16.9 mm Hg 25 EST
Henry's Law Constant 2.11E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.06E-11 cm3/molecule-sec 25 EST

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