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Substance Name: Acrolein
RN: 107-02-8
UNII: 7864XYD3JJ
InChIKey: HGINCPLSRVDWNT-UHFFFAOYSA-N

Note

  • Unsaturated three-carbon aldehyde.

Molecular Formula

  • C3-H4-O

Molecular Weight

  • 56.0636
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Herbicide
  • Human Data
  • Mutation Data
  • Out-Dated Pesticide
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 37
  • 2011 CERCLA Priority List, Rank: 31
  • Ceiling (0.1 ppm); skin; Not classifiable as a human carcinogen
  • Overall Carcinogenic Evaluation: Group 3
  • Reportable Quantity (RQ) = 1 lb
  • Threshold Planning Quantity (TPQ) = 500 lb
  • TWA 0.1 ppm (0.25 mg/m3)

Names and Synonyms

Name of Substance

  • Acrolein

MeSH Heading

  • Acrolein

Synonyms

  • 2-Propenal
  • Acquinite
  • Acraldehyde
  • Acraldehydeacroleina
  • Acraldehydeacroleina [Italian]
  • Acrolein
  • Acroleina
  • Acroleina [Italian]
  • Acroleine
  • Acroleine [Dutch, French]
  • Acrylaldehyd
  • Acrylaldehyd [German]
  • Acrylaldehyde
  • Acrylic aldehyde
  • AI3-24160
  • Akrolein
  • Akrolein [Czech]
  • Akroleina
  • Akroleina [Polish]
  • Aldehyde acrylique
  • Aldehyde acrylique [French]
  • Aldeide acrilica
  • Aldeide acrilica [Italian]
  • Allyl aldehyde
  • Aqualin
  • Aqualine
  • Caswell No. 009
  • CCRIS 3278
  • Crolean
  • EC 203-453-4
  • EINECS 203-453-4
  • EPA Pesticide Chemical Code 000701
  • Ethylene aldehyde
  • HSDB 177
  • Magnacide
  • Magnacide H
  • NSC 8819
  • Papite
  • Prop-2-en-1-al
  • Propenal
  • Propenal [Czech]
  • Propylene aldehyde
  • RCRA waste number P003
  • Slimicide
  • UN 1092
  • UNII-7864XYD3JJ

Systematic Names

  • 2-Propenal
  • Acrolein
  • Acrylaldehyde

Superlist Names

  • 2-Propenal
  • Acrolein
  • Acrolein, inhibited
  • Acrolein, inhibited [UN1092] [Poison]
  • Acrylic aldehyde, inhibited
  • Propenal, inhibited
  • RCRA waste no. P003
  • UN1092

Registry Numbers

CAS Registry Number

  • 107-02-8

FDA UNII

  • 7864XYD3JJ

Other Registry Number

  • 25314-61-8

System Generated Number

  • 0000107028

Structure Descriptors

InChI

1S/C3H4O/c1-2-3-4/h2-3H,1H2

InChIKey

HGINCPLSRVDWNT-UHFFFAOYSA-N

Smiles

C=CC=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LCLo inhalation 1570mg/m3/2H (1570mg/m3)   Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.
cat LDLo intravenous 15mg/kg (15mg/kg) BLOOD: OTHER CHANGES Acta Pharmacologica et Toxicologica. Vol. 8, Pg. 275, 1952.
child TCLo inhalation 300ppb/2H (0.3ppm) LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY OBSTRUCTION
Nouvelle Presse Medicale. Vol. 8, Pg. 2469, 1979.
guinea pig LCLo inhalation 24mg/m3/6H (24mg/m3) LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI

LUNGS, THORAX, OR RESPIRATION: EMPHYSEMA

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
British Medical Journal. Vol. 2, Pg. 913, 1956.
guinea pig LDLo subcutaneous 178ug/kg (0.178mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

CARDIAC: OTHER CHANGES
Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 43, Pg. 351, 1900.
hamster LCLo inhalation 1000ppm/10M (1000ppm) LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS

SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE
Sangyo Igaku. Japanese Journal of Industrial Health. Vol. 19, Pg. 367, 1977.
human LCLo inhalation 5500ppb (5.5ppm)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 73, 1969.
human LCLo inhalation 153ppm/10M (153ppm)   National Technical Information Service. Vol. PB214-270,
mammal (species unspecified) LD50 unreported 45mg/kg (45mg/kg)   "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971Vol. -, Pg. 111, 1971.
mammal (species unspecified) LDLo oral 10mg/kg (10mg/kg)   American Journal of Hygiene. Vol. 29, Pg. 32, 1939.
man TCLo inhalation 1ppm (1ppm) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE British Medical Journal. Vol. 2, Pg. 913, 1956.
mouse LC50 inhalation 66ppm/6H (66ppm)   Internationales Archiv fuer Arbeitsmedizin. Vol. 26, Pg. 281, 1970.
mouse LD50 intraperitoneal 9008ug/kg (9.008mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
mouse LD50 oral 13900ug/kg (13.9mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. OTS0533812,
mouse LD50 subcutaneous 30mg/kg (30mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

LIVER: FATTY LIVER DEGERATION
Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.
rabbit LCLo inhalation 24mg/m3/6H (24mg/m3) LUNGS, THORAX, OR RESPIRATION: EMPHYSEMA

LUNGS, THORAX, OR RESPIRATION: STRUCTURAL OR FUNCTIONAL CHANGE IN TRACHEA OR BRONCHI

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
British Medical Journal. Vol. 2, Pg. 913, 1956.
rabbit LD50 oral 7mg/kg (7mg/kg)   Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966. Vol. -, Pg. 1, 1966.
rabbit LD50 skin 200mg/kg (200mg/kg)   Union Carbide Data Sheet. Vol. 6/18/1971,
rabbit LDLo subcutaneous 250mg/kg (250mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 43, Pg. 351, 1900.
rat LC50 inhalation 18mg/m3/4H (18mg/m3)   Current Toxicology. Vol. 1, Pg. 47, 1993.
rat LD50 intraperitoneal 4mg/kg (4mg/kg)   Toxicology and Applied Pharmacology. Vol. 71, Pg. 84, 1983.
rat LD50 oral 26mg/kg (26mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 58(10), Pg. 4, 1993.
rat LD50 subcutaneous 50mg/kg (50mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

LIVER: FATTY LIVER DEGERATION
Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.77E+01 deg C   EXP
Boiling Point 52.6 deg C   EXP
log P (octanol-water) -0.01 (none)   EXP
Water Solubility 2.12E+05 mg/L 25 EXP
Vapor Pressure 274 mm Hg 25 EXP
Henry's Law Constant 1.22E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.99E-11 cm3/molecule-sec 25 EXP

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