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Substance Name: Crotonaldehyde
RN: 4170-30-3
UNII: 9G72074TUW
InChIKey: MLUCVPSAIODCQM-NSCUHMNNSA-N

Molecular Formula

  • C4-H6-O

Molecular Weight

  • 70.0904
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Codes

  • Ceiling (0.3 ppm); skin; Confirmed animal carcinogen with unknown relevance to humans
  • Overall Carcinogenic Evaluation: Group 3
  • Reportable Quantity (RQ) = 100 lb
  • Threshold Planning Quantity (TPQ) = 1000 lb
  • TWA 2 ppm (6 mg/m3)

Names and Synonyms

Name of Substance

  • 2-Butenal
  • Crotonaldehyde

Synonyms

  • 1-Formylpropene
  • 2-Butenal
  • 2-Butenaldehyde
  • AI3-18303
  • AI3-18303 (USDA)
  • beta-Methylacrolein
  • CCRIS 909
  • Crotonal
  • Crotonaldehyde
  • Crotonic aldehyde
  • Crotylaldehyde
  • EC 224-030-0
  • EINECS 224-030-0
  • HSDB 252
  • Krotonaldehyd
  • Krotonaldehyd [Czech]
  • Methylpropenal
  • NSC 56354
  • Propylene aldehyde
  • RCRA waste number U053
  • UN 1143
  • UNII-9G72074TUW

Systematic Names

  • 2-Butenal
  • Crotonaldehyde

Superlist Names

  • 2-Butenal
  • 2-Butenal, inhibited
  • 3-Methylacrolein, inhibited
  • Crotonaldehyde
  • Crotonaldehyde, inhibited
  • Crotonaldehyde, stabilized
  • Crotonaldehyde, stabilized [UN1143] [Poison]
  • Crotonic aldehyde
  • RCRA waste no. U053
  • UN1143

Registry Numbers

CAS Registry Number

  • 4170-30-3

FDA UNII

  • 9G72074TUW

System Generated Number

  • 0004170303

Structure Descriptors

InChI

1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+

InChIKey

MLUCVPSAIODCQM-NSCUHMNNSA-N

Smiles

C(=C\C)/C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 30mg/kg (30mg/kg) BLOOD: OTHER CHANGES Acta Pharmacologica et Toxicologica. Vol. 8, Pg. 275, 1952.
guinea pig LD50 skin 30uL/kg (0.03mL/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944.
mouse LC50 inhalation 580mg/m3/2H (580mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(8), Pg. 53, 1982.
mouse LD50 oral 104mg/kg (104mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(8), Pg. 53, 1982.
rabbit LD50 skin 380uL/kg (0.38mL/kg)   Union Carbide Data Sheet. Vol. 4/21/1967,
rat LC50 inhalation 200mg/m3/2H (200mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 26(8), Pg. 53, 1982.
rat LD50 oral 80mg/kg (80mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 62(3), Pg. 3, 1997.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.65E+01 deg C   EXP
Boiling Point 104 deg C   EXP
log P (octanol-water) 0.600 (none)   EST
Water Solubility 1.81E+05 mg/L 20 EXP
Vapor Pressure 30 mm Hg 20 EXP
Henry's Law Constant 9.68E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.62E-11 cm3/molecule-sec 25 EST

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