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Substance Name: Acetyl ketene
RN: 674-82-8
UNII: 0DZ97C3Z7D
InChIKey: WASQWSOJHCZDFK-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C4-H4-O2

Molecular Weight

  • 84.0736
 
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Names and Synonyms

Name of Substance

  • Acetyl ketene
  • Diketene

Synonyms

  • 2-Oxetanone, 4-methylene-
  • 3-Buteno-beta-lactone
  • 3-Butenoic acid, 3-hydroxy-, beta-lactone
  • 4-Methylene-2-oxetanone
  • 5-17-09-00115 (Beilstein Handbook Reference)
  • BRN 0104541
  • CCRIS 8887
  • Diketene
  • EC 211-617-1
  • EINECS 211-617-1
  • Ethenone, dimer
  • Ethenone, dimer (VAN)
  • HSDB 2063
  • Ketene, dimer
  • NSC 93783
  • UNII-0DZ97C3Z7D
  • Vinylaceto-beta-lactone

Systematic Names

  • 2-Oxetanone, 4-methylene-
  • 4-Methylene-2-oxetanone
  • But-3-en-3-olide

Superlist Names

  • 2-Oxetanone, 4-methylene-
  • 3-Butenoic acid, 3-hydroxy-, beta-lactone
  • Diketene
  • Diketene, inhibited
  • Diketene, inhibited [UN2521] [Poison]
  • UN2521

Registry Numbers

CAS Registry Number

  • 674-82-8

FDA UNII

  • 0DZ97C3Z7D

Other Registry Numbers

  • 2130-41-8
  • 6144-29-2
  • 6842-10-0

System Generated Number

  • 0000674828

Structure Descriptors

InChI

1S/C4H4O2/c1-3-2-4(5)6-3/h1-2H2

InChIKey

WASQWSOJHCZDFK-UHFFFAOYSA-N

Smiles

C1(CC(=O)O1)=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LC50 inhalation 3gm/m3/2H (3000mg/m3)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 301, 1986.
guinea pig LDLo skin 10mL/kg (10mL/kg)   Kodak Company Reports. Vol. 21MAY1971,
mouse LDLo oral 800mg/kg (800mg/kg)   Kodak Company Reports. Vol. 21MAY1971,
rabbit LD50 skin 2830uL/kg (2.83mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LCLo inhalation 20000ppm/1H (20000ppm)   Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. Vol. 6, Pg. 1, 1967.
rat LD50 oral 560uL/kg (0.56mL/kg)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -6.50E+00 deg C   EXP
Boiling Point 126.1 deg C   EXP
log P (octanol-water) -0.390 (none)   EST
Water Solubility 5.30E+05 mg/L 25 EST
Vapor Pressure 10.7 mm Hg 25 EXP
Henry's Law Constant 6.07E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.15E-11 cm3/molecule-sec 25 EST

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