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Substance Name: Isobutyraldehyde
RN: 78-84-2
UNII: C42E28168L
InChIKey: AMIMRNSIRUDHCM-UHFFFAOYSA-N

Classification Codes

  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C4-H8-O

Molecular Weight

  • 72.1062
 

Names and Synonyms

Name of Substance

  • Isobutyraldehyde

Synonyms

  • 2-Methyl-1-propanal
  • 2-Methylpropanal
  • 2-Methylpropionaldehyde
  • AI3-15311
  • alpha-Methylpropionaldehyde
  • CCRIS 1101
  • EC 201-149-6
  • EINECS 201-149-6
  • FEMA No. 2220
  • HSDB 614
  • Isobutaldehyde
  • Isobutanal
  • Isobutylaldehyde
  • Isobutyral
  • Isobutyraldehyd
  • Isobutyraldehyd [Czech]
  • Isobutyraldehyde
  • Isobutyraldehyde (natural)
  • Isobutyric aldehyde
  • Isobutyryl aldehyde
  • Isopropyl aldehyde
  • Isopropyl formaldehyde
  • Isopropylaldehyde
  • Isopropylformaldehyde
  • Methyl propanal
  • Methylpropanal
  • NCI-C60968
  • NSC 6739
  • Propanal, 2-methyl-
  • Propionaldehyde, 2-methyl-
  • UNII-C42E28168L
  • Valine aldehyde

Systematic Names

  • Isobutyraldehyde
  • Propanal, 2-methyl-

Superlist Names

  • Isobutyraldehyde
  • Isobutyraldehyde or isobutyl aldehyde
  • Isobutyraldehyde or isobutyl aldehyde [UN2045] [Flammable liquid]
  • Propanal, 2-methyl-
  • UN2045

Registry Numbers

CAS Registry Number

  • 78-84-2

FDA UNII

  • C42E28168L

Other Registry Number

  • 26140-46-5

System Generated Number

  • 0000078842

Structure Descriptors

InChI

1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3

InChIKey

AMIMRNSIRUDHCM-UHFFFAOYSA-N

Smiles

C(C=O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 39500mg/m3/2H (39500mg/m3) LUNGS, THORAX, OR RESPIRATION: PLEURAL THICKENING

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: EXCITEMENT
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(5), Pg. 104, 1972.
rabbit LD50 skin 7130uL/kg (7.13mL/kg)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LCLo inhalation 8000ppm/4H (8000ppm)   AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.
rat LD50 oral 960mg/kg (960mg/kg) GASTROINTESTINAL: NECROTIC GHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BLOOD: HEMORRHAGE
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 37(5), Pg. 104, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.59E+01 deg C   EXP
Boiling Point 64.5 deg C   EXP
log P (octanol-water) 0.740 (none)   EST
Water Solubility 8.90E+04 mg/L 25 EXP
Vapor Pressure 173 mm Hg 25 EXP
Henry's Law Constant 1.80E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.63E-11 cm3/molecule-sec 25 EXP

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