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Substance Name: Butyraldehyde
RN: 123-72-8
UNII: H21352682A
InChIKey: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Molecular Formula

  • C4-H8-O

Molecular Weight

  • 72.1062
 

Names and Synonyms

Name of Substance

  • Butyraldehyde

Synonyms

  • 1-Butanal
  • 4-01-00-03229 (Beilstein Handbook Reference)
  • AI3-24198
  • Aldehyde butyrique
  • Aldehyde butyrique [French]
  • Aldeide butirrica
  • Aldeide butirrica [Italian]
  • BRN 0506061
  • Butal
  • Butaldehyde
  • Butalyde
  • Butanal
  • Butanaldehyde
  • Butylaldehyde
  • Butyral
  • Butyraldehyd
  • Butyraldehyd [German]
  • Butyraldehyde
  • Butyric aldehyde
  • CCRIS 3221
  • EC 204-646-6
  • EINECS 204-646-6
  • FEMA Number 2219
  • HSDB 2798
  • n-Butyraldehyde
  • NCI-C56291
  • NSC 62779
  • UNII-H21352682A

Systematic Names

  • Butanal
  • Butyraldehyde

Superlist Names

  • Butanal
  • Butyraldehyde
  • Butyraldehyde (crude)
  • Butyraldehyde [UN1129] [Flammable liquid]
  • n-Butyraldehyde
  • UN1129

Registry Numbers

CAS Registry Number

  • 123-72-8

FDA UNII

  • H21352682A

System Generated Number

  • 0000123728

Structure Descriptors

InChI

1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3

InChIKey

ZTQSAGDEMFDKMZ-UHFFFAOYSA-N

Smiles

C(CC)C=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 38gm/m3 (38000mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
mouse LC50 inhalation 44610mg/m3/2H (44610mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 30, 1982.
mouse LD50 intraperitoneal 1140mg/kg (1140mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 731, 1979.
mouse LD50 subcutaneous 2700mg/kg (2700mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

KIDNEY, URETER, AND BLADDER: HEMATURIA
Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.
rabbit LD50 skin 3560uL/kg (3.56mL/kg)   Union Carbide Data Sheet. Vol. 7/20/1965,
rat LCLo inhalation 8000ppm/4H (8000ppm)   National Technical Information Service. Vol. OTS0516688,
rat LD50 intraperitoneal 800mg/kg (800mg/kg)   Food and Cosmetics Toxicology. Vol. 17, Pg. 731, 1979.
rat LD50 oral 2490mg/kg (2490mg/kg)   National Technical Information Service. Vol. OTS0516688,
rat LD50 subcutaneous 10gm/kg (10000mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Acta Pharmacologica et Toxicologica. Vol. 6, Pg. 299, 1950.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.90E+01 deg C   EXP
Boiling Point 74.8 deg C   EXP
log P (octanol-water) 0.88 (none)   EXP
Water Solubility 7.10E+04 mg/L 25 EXP
Vapor Pressure 111 mm Hg 25 EXP
Henry's Law Constant 1.15E-04 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 2.35E-11 cm3/molecule-sec 25 EXP

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