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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
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
Classification Codes
- Human Data
- Pharmaceutic Aid (Alcohol Denaturant)
- Reproductive Effect
- Skin / Eye Irritant
- 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)
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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
InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3InChIKey
NTIZESTWPVYFNL-UHFFFAOYSA-NSmiles
CC(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.