1.0 2010-04-08 22:07:57 UTC 2019-11-26 03:02:13 UTC FDB008174 4-Methyl-2-pentanone Present in orange, lemon, concord grape, vinegar, cheeses, cooked beef, roasted peanut and other foodstuffs. Flavouring ingredient Methyl isobutyl ketone (MIBK) is an organic solvent. MIBK is among the top ten most popular organic solvents used in industry. MIBK is occasionally found as a volatile component of urine. MIBK in urine is considered as a biological marker of occupational exposure to this solvent. Olfactory perception is significant but adaptation may occur. The typical toxicity effects of MIBK in humans exposed at 50 to 100 ppm are mucous membrane irritation and weak effects on the central nervous system (CNS) such as headache. Visual dysfunction has been reported in workers exposed to a mixture of organic solvents containing MIBK. Memory impairment was detected in clinical observation on a 44-year-old man who had been exposed to MIBK at 100 ppm for more than 10 years. Regarding to the route of absorption, skin penetration of MIBK is substantial. (PMID: 12592578, 17485256, 16464817, 5556886). 4-Methyl-2-pentanone is found in many foods, some of which are nuts, ginger, citrus, and animal foods. 2-Methyl-4-pentanal 2-Methyl-4-pentanone 2-Methylpropyl methyl ketone 2-Pentanone, 4-methyl- 2-PENTANONE,4-METHYL METHYL,ISOBUTYL,KETONE 4-Methyl-2-oxopentane 4-Methyl-2-pentanon 4-methyl-2-pentanone (MIBK 4-Methyl-pentan-2-on 4-Methylpentan-2-one 4-Metilpentan-2-one Ethyl iso-butyl ketone FEMA 2731 Hexanone Hexon Hexone iso-C4H9COCH3 Isobutyl methyl ketone Isobutyl-methylketon Isohexanone Isopropyl acetone Isopropylacetone Ketone, isobutyl methyl Methyl I-butyl ketone Methyl isobutyl ketone Methyl isobutyl ketone (NF) Methyl isobutyl ketone [UN1245] [Flammable liquid] Methyl isobutyl ketone [usan] Methyl isobutyl ketone) Methyl-2-pentanon,4- Methyl-isobutyl-cetone Methylisobutylketon Methylpentan-2-one Metilisobutilchetone Metyloizobutyloketon MIBK MIK Shell mibk C6H12O 100.1589 100.088815006 4-methylpentan-2-one methyl isobutyl ketone 108-10-1 CC(C)CC(C)=O InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3 NTIZESTWPVYFNL-UHFFFAOYSA-N belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Hydrocarbon derivative Ketone Organic oxide Oxygenated hydrocarbons ketone Liquid logp 1.31 ALOGPS logs -0.96 ALOGPS solubility 1.10e+01 g/l ALOGPS melting_point -84 oC logp 1.54 ChemAxon pka_strongest_acidic 19.61 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac 4-methylpentan-2-one ChemAxon average_mass 100.1589 ChemAxon mono_mass 100.088815006 ChemAxon smiles CC(C)CC(C)=O ChemAxon formula C6H12O ChemAxon inchi InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3 ChemAxon inchikey NTIZESTWPVYFNL-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 29.97 ChemAxon polarizability 12.05 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 1850 Specdb::MsIr 1851 Specdb::CMs 12978 Specdb::CMs 26808 Specdb::CMs 27135 Specdb::CMs 27795 Specdb::CMs 28322 Specdb::CMs 99787 Specdb::CMs 99788 Specdb::CMs 99789 Specdb::CMs 99790 Specdb::CMs 169925 Specdb::NmrTwoD 1853 Specdb::NmrOneD 1918 Specdb::NmrOneD 129138 Specdb::NmrOneD 129139 Specdb::NmrOneD 129140 Specdb::NmrOneD 129141 Specdb::NmrOneD 129142 Specdb::NmrOneD 129143 Specdb::NmrOneD 129144 Specdb::NmrOneD 129145 Specdb::NmrOneD 129146 Specdb::NmrOneD 129147 Specdb::NmrOneD 129148 Specdb::NmrOneD 129149 Specdb::NmrOneD 129150 Specdb::NmrOneD 129151 Specdb::NmrOneD 129152 Specdb::NmrOneD 129153 Specdb::NmrOneD 129154 Specdb::NmrOneD 129155 Specdb::NmrOneD 129156 Specdb::NmrOneD 129157 Specdb::MsMs 2173 Specdb::MsMs 2174 Specdb::MsMs 2175 Specdb::MsMs 5807 Specdb::MsMs 5808 Specdb::MsMs 5809 Specdb::MsMs 5810 Specdb::MsMs 11966 Specdb::MsMs 11967 Specdb::MsMs 11968 Specdb::MsMs 18638 Specdb::MsMs 18639 Specdb::MsMs 18640 Specdb::MsMs 2412067 Specdb::MsMs 2412068 Specdb::MsMs 2412069 Specdb::MsMs 2550887 Specdb::MsMs 2550888 Specdb::MsMs 2550889 HMDB02939 #<Reference:0x000055ce326716b8> #<Reference:0x000055ce326712d0> #<Reference:0x000055ce32671118> #<Reference:0x000055ce32670f38> #<Reference:0x000055ce32670d08> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Beer Type 2 specific 0.12 0.12 0.12 mg/100 g Bison Type 1 specific Bison bison 9901 Black elderberry Type 1 specific Sambucus nigra 4202 Blackberry Type 1 specific Rubus Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Citrus Unknown generic Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Evergreen blackberry Type 1 specific Rubus laciniatus Fruits Unknown generic Ginger Type 1 specific Zingiber officinale 94328 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Nuts Unknown generic Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Sweet cherry Type 1 specific Prunus avium 42229 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 dairy fruity green herbal sharp solvent spice Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.