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Substance Name: Methyl isopropyl ketone
RN: 563-80-4
UNII: V8DP6THY5O
InChIKey: SYBYTAAJFKOIEJ-UHFFFAOYSA-N

Molecular Formula

  • C5-H10-O

Molecular Weight

  • 86.133
 

Classification Codes

Classification Codes

  • Mutation Data
  • Skin / Eye Irritant

Superlist Classification Code

  • TWA (200 ppm)
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Names and Synonyms

Name of Substance

  • Isopropyl methyl ketone
  • Methyl isopropyl ketone

Synonyms

  • 2-Acetyl propane
  • 2-Acetylpropane
  • 2-Methyl-3-butanone
  • 3-Methyl-2-butanone
  • AI3-24194
  • Caswell No. 555A
  • EC 209-264-3
  • EINECS 209-264-3
  • EPA Pesticide Chemical Code 044104
  • HSDB 7915
  • Isopropyl methyl ketone
  • Ketone, isopropyl methyl
  • Methyl butanone-2
  • Methyl isopropyl ketone
  • Methylbutanone (VAN)
  • MIPK
  • NSC 9379
  • UNII-V8DP6THY5O

Systematic Names

  • 2-Butanone, 3-methyl-
  • 3-Methylbutanone

Superlist Names

  • 2-Butanone, 3-methyl-
  • 3-Methyl-2-butanone
  • 3-Methylbutan-2-one
  • 3-Methylbutan-2-one [UN2397] [Flammable liquid]
  • Methyl isopropyl ketone
  • UN2397

Registry Numbers

CAS Registry Number

  • 563-80-4

FDA UNII

  • V8DP6THY5O

Other Registry Number

  • 52325-52-7

System Generated Number

  • 0000563804

Structure Descriptors

InChI

1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3

InChIKey

SYBYTAAJFKOIEJ-UHFFFAOYSA-N

Smiles

C(C(C)=O)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4737, 1982.
mouse LD50 oral 2572mg/kg (2572mg/kg)   Toxicology Letters. Vol. 30, Pg. 13, 1986.
rabbit LD50 skin 6350mg/kg (6350mg/kg)   Food and Cosmetics Toxicology. Vol. 16, Pg. 819, 1978.
rat LCLo inhalation 5700ppm/4H (5700ppm)   Toxicology and Applied Pharmacology. Vol. 28, Pg. 313, 1974.
rat LD50 intraperitoneal 800mg/kg (800mg/kg)   "Patty's Industrial Hygiene and Toxicology," 3rd rev. ed., Clayton, G.D., and F.E. Clayton, eds., New York, John Wiley & Sons, Inc., 1978-82. Vol. 3 originally pub. in 1979; pub. as 2n rev. ed. in 1985.Vol. 2C, Pg. 4737, 1982.
rat LD50 oral 148mg/kg (148mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 7, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -9.20E+01 deg C   EXP
Boiling Point 94.3 deg C   EXP
log P (octanol-water) 0.84 (none)   EXP
Water Solubility 6.08E+04 mg/L 25 EXP
Vapor Pressure 52.2 mm Hg 25 EXP
Henry's Law Constant 9.73E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.87E-12 cm3/molecule-sec 25 EXP

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