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Substance Name: (E)-Crotonaldehyde
RN: 123-73-9
UNII: 6PUW625907
InChIKey: MLUCVPSAIODCQM-NSCUHMNNSA-N

Molecular Formula

  • C4-H6-O

Molecular Weight

  • 70.0904
 

Classification Codes

Classification Codes

  • Human Data
  • Mutation Data
  • Skin / Eye Irritant

Superlist Classification Codes

  • Overall Carcinogenic Evaluation: Group 3
  • Reportable Quantity (RQ) = 100 lb
  • Threshold Planning Quantity (TPQ) = 1000 lb
  • TWA 2 ppm (6 mg/m3)
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Names and Synonyms

Name of Substance

  • (E)-Crotonaldehyde

Synonyms

  • (E)-Crotonaldehyde
  • (E)-Crotonaldehyde (IUPAC)
  • 2-Butenal, (E)-
  • Aldehyde crotonique
  • Aldehyde crotonique [French]
  • beta-Methyl acrolein
  • CCRIS 4501
  • Crotonaldehyde, (E)-
  • E-2-Butenal
  • EINECS 204-647-1
  • HSDB 2871
  • NCI-C56279
  • RCRA waste number U053
  • Topanel
  • Topanel CA
  • trans- Crotonal
  • trans-2-Butenal
  • trans-Crotonaldehyde
  • UN 1143
  • UNII-6PUW625907

Systematic Names

  • 2-Butenal, (2E)-
  • 2-Butenal, (E)-
  • Crotonaldehyde, (E)-

Superlist Names

  • (E)-Crotonaldehyde
  • 2-Butenal, (E)-
  • Crotonaldehyde
  • Crotonaldehyde, (E)-
  • Crotonaldehyde, cis-
  • RCRA waste no. U053

Registry Numbers

CAS Registry Number

  • 123-73-9

FDA UNII

  • 6PUW625907

System Generated Number

  • 0000123739

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
dog LDLo subcutaneous 568mg/kg (568mg/kg)   Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 18, Pg. 218, 1884.
guinea pig LDLo subcutaneous 1331mg/kg (1331mg/kg)   Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 18, Pg. 218, 1884.
human TCLo inhalation 12mg/m3/10M (12mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
JAMA, Journal of the American Medical Association. Vol. 165, Pg. 1908, 1957.
mouse LC50 inhalation 1510mg/m3/2H (1510mg/m3) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: ATAXIA

BEHAVIORAL: EXCITEMENT
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 6(9), Pg. 34, 1962.
mouse LD50 intraperitoneal 160mg/kg (160mg/kg)   Personal Communication from H. Zollner, Institut fur Biochemie, Der Universitat, Gras, Oct. 23, 1975Vol. 23OCT1975,
mouse LD50 oral 240mg/kg (240mg/kg)   Biochemical Journal. Vol. 34, Pg. 1196, 1940.
mouse LD50 subcutaneous 160mg/kg (160mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.
rabbit LD50 skin 380mg/kg (380mg/kg)   Union Carbide Data Sheet. Vol. 4/21/1967,
rat LC50 inhalation 4000mg/m3/30M (4000mg/m3) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.
rat LD50 subcutaneous 140mg/kg (140mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -7.60E+01 deg C   EXP
Boiling Point 102.2 deg C   EXP
log P (octanol-water) 0.600 (none)   EST
Water Solubility 1.50E+05 mg/L 2 EXP
Vapor Pressure 30 mm Hg 25 EXP
Henry's Law Constant 1.94E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.60E-11 cm3/molecule-sec 25 EXP

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