1.0 2010-04-08 22:07:57 UTC 2019-11-26 03:02:14 UTC FDB008178 4-Methyl-3-penten-2-one, 9CI Flavouring ingredient. Constituent of Capsicum subspecies, Osmanthus fragrans (sweet osmanthus) and other plants. 4-Methyl-3-penten-2-one, 9CI is found in many foods, some of which are pepper (c. annuum), yellow bell pepper, orange bell pepper, and red bell pepper. (CH3)2C=CHC(=O)CH3 1-Methylpent-2-en-4-one 2-Methyl-2-penten-4-one 2-Methyl-2-pentenone-4 2-Methyl-4-oxo-2-pentene 2,2-Dimethylvinyl methyl ketone 3-Isohexen-2-one 3-Penten-2-one, 4-methyl- 3-PENTEN,2-ONE,4-METHYL MESITYLOXIDE 4-Methyl-3-penten-2-on 4-Methyl-3-penten-2-one 4-methyl-3-penten-2-one (mesityl oxide) 4-Methyl-3-pentene-2-one 4-Methylpent-3-en-2-one 4-Metil-3-penten-2-one Acetone, isopropylidene- FEMA 3368 Isobutenyl methyl ketone Isopropylidene acetone Isopropylidene-acetone Isopropylideneacetone Mesityl oxide Mesityl oxide [UN1229] [Flammable liquid] Mesityloxid Mesityloxid(german) Mesityloxyde Methyl 2-methyl-1-propenyl ketone Methyl 2,2-dimethylvinyl ketone Methyl isobutenyl ketone Ossido di mesitile Oxyde de mesityle C6H10O 98.143 98.073164942 4-methylpent-3-en-2-one mesityl oxide 141-79-7 CC(C)=CC(C)=O InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3 SHOJXDKTYKFBRD-UHFFFAOYSA-N belongs to the class of organic compounds known as enones. Enones are compounds containing the enone functional group, with the structure RC(=O)CR'. Enones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic acyclic compounds Acryloyl compounds Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Aliphatic acyclic compound Enone Hydrocarbon derivative Ketone Organic oxide Oxygenated hydrocarbons logp 1.01 ALOGPS logs -0.68 ALOGPS solubility 2.05e+01 g/l ALOGPS melting_point Mp -41.5° (-59°) logp 1.49 ChemAxon pka_strongest_acidic 19.78 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 4-methylpent-3-en-2-one ChemAxon average_mass 98.143 ChemAxon mono_mass 98.073164942 ChemAxon smiles CC(C)=CC(C)=O ChemAxon formula C6H10O ChemAxon inchi InChI=1S/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3 ChemAxon inchikey SHOJXDKTYKFBRD-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 30.8 ChemAxon polarizability 11.52 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4639 Specdb::MsIr 4640 Specdb::EiMs 1238 Specdb::CMs 15983 Specdb::CMs 27914 Specdb::CMs 28320 Specdb::CMs 100864 Specdb::CMs 100865 Specdb::CMs 137899 Specdb::CMs 145633 Specdb::MsMs 50844 Specdb::MsMs 50845 Specdb::MsMs 50846 Specdb::MsMs 114264 Specdb::MsMs 114265 Specdb::MsMs 114266 Specdb::MsMs 2394244 Specdb::MsMs 2394245 Specdb::MsMs 2394246 Specdb::MsMs 2571368 Specdb::MsMs 2571369 Specdb::MsMs 2571370 Specdb::NmrOneD 2244 Specdb::NmrOneD 2939 Specdb::NmrOneD 111378 Specdb::NmrOneD 111379 Specdb::NmrOneD 111380 Specdb::NmrOneD 111381 Specdb::NmrOneD 111382 Specdb::NmrOneD 111383 Specdb::NmrOneD 111384 Specdb::NmrOneD 111385 Specdb::NmrOneD 111386 Specdb::NmrOneD 111387 Specdb::NmrOneD 111388 Specdb::NmrOneD 111389 Specdb::NmrOneD 111390 Specdb::NmrOneD 111391 Specdb::NmrOneD 111392 Specdb::NmrOneD 111393 Specdb::NmrOneD 111394 Specdb::NmrOneD 111395 Specdb::NmrOneD 111396 Specdb::NmrOneD 111397 HMDB31563 #<Reference:0x000055ce32d244b0> Green bell pepper Type 1 specific Capsicum annuum 4072 Herbs and Spices Unknown generic Orange bell pepper Type 1 specific Capsicum annuum 4072 Pepper Type 1 specific Capsicum annuum 4072 Pepper (C. frutescens) Type 1 specific Capsicum annuum var. annuum 40321 Red bell pepper Type 1 specific Capsicum annuum 4072 Yellow bell pepper Type 1 specific Capsicum annuum 4072 acrylic chemical earthy pungent sweet vegetable