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Substance Name: Methyl isobutyl ketone [NF]
RN: 108-10-1
UNII: U5T7B88CNP
InChIKey: NTIZESTWPVYFNL-UHFFFAOYSA-N

Molecular Formula

  • C6-H12-O

Molecular Weight

  • 100.16
 

Classification Codes

Classification Codes

  • Human Data
  • Pharmaceutic Aid (Alcohol Denaturant)
  • Reproductive Effect
  • Skin / Eye Irritant
  • TSCA Flag T (Subject to the Section 4 Test Rule under TSCA)
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 269
  • 2011 CERCLA Priority List, Rank: 272
  • Reportable Quantity (RQ) = 5000 lb
  • TWA (50 ppm); STEL (75 ppm); BEI
  • TWA 100 ppm (410 mg/m3)

Names and Synonyms

Name of Substance

  • 2-Pentanone, 4-methyl-
  • 4-Methyl-2-pentanone
  • Isopropylacetone
  • Methyl isobutyl ketone
  • Methyl isobutyl ketone [NF]
  • MIBK

Synonyms

  • 2-Methyl-4-pentanone
  • 2-Methylpropyl methyl ketone
  • 2-Pentanone, 4-methyl-
  • 4-01-00-03305 (Beilstein Handbook Reference)
  • 4-Methyl-2-oxopentane
  • 4-Methyl-2-pentanon
  • 4-Methyl-2-pentanon [Czech]
  • 4-Methyl-2-pentanone
  • 4-Methyl-2-pentanone (natural)
  • 4-Methyl-pentan-2-on
  • 4-Methyl-pentan-2-on [Dutch, German]
  • 4-Metilpentan-2-one
  • 4-Metilpentan-2-one [Italian]
  • AI3-01229
  • BRN 0605399
  • Caswell No. 574AA
  • CCRIS 2052
  • EC 203-550-1
  • EINECS 203-550-1
  • EPA Pesticide Chemical Code 044105
  • FEMA No. 2731
  • FEMA Number 2731
  • Hexanone
  • Hexon
  • Hexon [Czech]
  • Hexone
  • HSDB 148
  • Isobutyl methyl ketone
  • Isobutyl-methylketon
  • Isobutyl-methylketon [Czech]
  • Isohexanone
  • Isopropyl acetone
  • Isopropylacetone
  • Ketone, isobutyl methyl
  • Methyl isobutyl ketone
  • Methyl-isobutyl-cetone
  • Methyl-isobutyl-cetone [French]
  • Methylisobutylketon
  • Methylisobutylketon [Dutch, German]
  • Metilisobutilchetone
  • Metilisobutilchetone [Italian]
  • Metyloizobutyloketon
  • Metyloizobutyloketon [Polish]
  • MIBK
  • NSC 5712
  • RCRA waste number U161
  • Shell MIBK
  • UNII-U5T7B88CNP

Systematic Names

  • 2-Pentanone, 4-methyl-
  • 4-Methylpentan-2-one
  • Methyl isobutyl ketone

Superlist Names

  • 2-Pentanone, 4-methyl-
  • 4-Methyl-2-pentanone
  • Hexone
  • Methyl isobutyl ketone
  • Methyl isobutyl ketone [UN1245] [Flammable liquid]
  • RCRA waste no. U161
  • UN1245

Registry Numbers

CAS Registry Number

  • 108-10-1

FDA UNII

  • U5T7B88CNP

Other Registry Number

  • 1338234-91-5

System Generated Number

  • 0000108101

Structure Descriptors

InChI

1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3

InChIKey

NTIZESTWPVYFNL-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LCLo inhalation 68900mg/m3/3H (68900mg/m3) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

CARDIAC: PULSE RATE

SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE
National Technical Information Service. Vol. OTS0535383,
guinea pig 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. 4748, 1982.
guinea pig LD50 oral 1600mg/kg (1600mg/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. 4748, 1982.
mammal (species unspecified) LD50 unreported 1396mg/kg (1396mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
man TCLo inhalation 2290mg/m3 (2290mg/m3) SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION National Technical Information Service. Vol. OTS0535383,
mouse LC50 inhalation 23300mg/m3 (23300mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 17(11), Pg. 52, 1973.
mouse LD50 intraperitoneal 268mg/kg (268mg/kg)   Shell Chemical Company. Unpublished Report. Vol. -, Pg. 7, 1961.
mouse LD50 oral 1900mg/kg (1900mg/kg)   National Technical Information Service. Vol. OTS0535383,
rabbit LD skin > 3gm/kg (3000mg/kg)   National Technical Information Service. Vol. OTS0535383,
rat LC50 inhalation 100gm/m3 (100000mg/m3)   National Technical Information Service. Vol. OTS0535383,
rat LD50 intraperitoneal 400mg/kg (400mg/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. 4748, 1982.
rat LD50 oral 2080mg/kg (2080mg/kg)   Union Carbide Data Sheet. Vol. 4/25/1958,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -8.40E+01 deg C   EXP
Boiling Point 116.5 deg C   EXP
log P (octanol-water) 1.31 (none)   EXP
Water Solubility 1.90E+04 mg/L 25 EXP
Vapor Pressure 19.9 mm Hg 25 EXP
Henry's Law Constant 1.38E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.41E-11 cm3/molecule-sec 25 EXP

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