1.0 2010-04-08 22:07:42 UTC 2019-11-26 03:01:44 UTC FDB007633 2-Methylpentan-3-one Isopropyl ethyl ketone (or ethyl isopropyl ketone) is a volatile organic compound. Isopropyl ethyl ketone is an aliphatic ketone used as a reagent in organic chemistry and as a solvent. Isopropyl ethyl ketone is occasionally found as a volatile component of normal human biofluids. It is a component of the feces in the normal population. Volatile organic compounds from feces have the potential to help in the diagnosis of gastrointestinal disease. (PMID: 5556886, 17314143). 2-Methylpentan-3-one is found in corn. 2-Methyl-3-pentanal 2-Methyl-3-pentanone 2-Methylpentan-3-one 3-Pentanone, 2-methyl- 4-Methyl-3-pentanone Ethyl isopropyl ketone Iso-C3H7COC2H5 Isopropyl ethyl ketone C6H12O 100.1589 100.088815006 2-methylpentan-3-one 4-methyl-3-pentanone 565-69-5 CCC(=O)C(C)C InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3 HYTRYEXINDDXJK-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 Solid logp 1.45 ALOGPS logs -0.80 ALOGPS solubility 1.59e+01 g/l ALOGPS logp 2.05 ChemAxon pka_strongest_basic -7.4 ChemAxon iupac 2-methylpentan-3-one ChemAxon average_mass 100.1589 ChemAxon mono_mass 100.088815006 ChemAxon smiles CCC(=O)C(C)C ChemAxon formula C6H12O ChemAxon inchi InChI=1S/C6H12O/c1-4-6(7)5(2)3/h5H,4H2,1-3H3 ChemAxon inchikey HYTRYEXINDDXJK-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 30.02 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::EiMs 1755 Specdb::MsIr 2314 Specdb::MsIr 2315 Specdb::CMs 19849 Specdb::CMs 151262 Specdb::NmrTwoD 1966 Specdb::MsMs 83313 Specdb::MsMs 83314 Specdb::MsMs 83315 Specdb::MsMs 144894 Specdb::MsMs 144895 Specdb::MsMs 144896 Specdb::MsMs 2692145 Specdb::MsMs 2692146 Specdb::MsMs 2692147 Specdb::MsMs 2989898 Specdb::MsMs 2989899 Specdb::MsMs 2989900 Specdb::NmrOneD 2032 Specdb::NmrOneD 3909 Specdb::NmrOneD 4185 Specdb::NmrOneD 61232 Specdb::NmrOneD 61233 Specdb::NmrOneD 61234 Specdb::NmrOneD 61235 Specdb::NmrOneD 61236 Specdb::NmrOneD 61237 Specdb::NmrOneD 61238 Specdb::NmrOneD 61239 Specdb::NmrOneD 61240 Specdb::NmrOneD 61241 Specdb::NmrOneD 61242 Specdb::NmrOneD 61243 Specdb::NmrOneD 61244 Specdb::NmrOneD 61245 Specdb::NmrOneD 61246 Specdb::NmrOneD 61247 Specdb::NmrOneD 61248 Specdb::NmrOneD 61249 Specdb::NmrOneD 61250 Specdb::NmrOneD 61251 Specdb::NmrOneD 166363 Specdb::NmrOneD 166585 HMDB05846 #<Reference:0x000055ce31c8c5d0> #<Reference:0x000055ce31c8c3f0> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Corn Type 1 specific Zea mays 4577 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 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 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 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823 mint