1.0 2010-04-08 22:05:46 UTC 2020-02-24 19:10:43 UTC FDB003365 1-Octen-3-one Mushroom flavour component (shiitake, matsutake)and is also present in cranberry, melon, cape gooseberry, peas, potato, mustards, wheat bread, other breads, coriander seed, dill basil varieties and soybean. Contributes to aroma of cooked artichokes (Cynara scolymus) and many other foods Oct-1-en-3-one (CH2=CHC(=O)(CH2)4CH3), also known as 1-octen-3-one, is the odorant that is responsible for the typical metallic smell of metals and blood coming into contact with skin. Oct-1-en-3-one has a strong metallic mushroom-like odor with an odor detection threshold of 0.03 - 1.12 µg/m³ and it is the main compound responsible for the "smell of metal", followed by decanal (smell: orange skin, flowery) and nonanal (smell: tallowy, fruity). Oct-1-en-3-one is the degradative reduction product of the chemical reaction of skin lipid peroxides and Fe2+. Skin lipid peroxides are formed from skin lipid by oxidation, either enzymatically by lipoxygenases or by air oxygen. Oct-1-en-3-one is a ketone analog of the alkene 1-octene. 1-Octen-3-one is found in many foods, some of which are pulses, fruits, herbs and spices, and potato. 1-octene-3-one Amyl vinyl ketone FEMA 3515 Oct-1-en-3-one octen-3-one, 1 Pentyl vinyl ketone Vinyl amyl ketone C8H14O 126.1962 126.10446507 oct-1-en-3-one oct-1-en-3-one 4312-99-6 CCCCCC(=O)C=C InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3 KLTVSWGXIAYTHO-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 2.38 ALOGPS logs -2.72 ALOGPS solubility 2.41e-01 g/l ALOGPS logp 2.9 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac oct-1-en-3-one ChemAxon average_mass 126.1962 ChemAxon mono_mass 126.10446507 ChemAxon smiles CCCCCC(=O)C=C ChemAxon formula C8H14O ChemAxon inchi InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3 ChemAxon inchikey KLTVSWGXIAYTHO-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 39.27 ChemAxon polarizability 15.55 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1897 Specdb::CMs 2376 Specdb::CMs 134926 Specdb::CMs 142660 Specdb::MsIr 4334 Specdb::MsIr 4335 Specdb::MsMs 50937 Specdb::MsMs 50938 Specdb::MsMs 50939 Specdb::MsMs 174843 Specdb::MsMs 174844 Specdb::MsMs 174845 Specdb::MsMs 2419158 Specdb::MsMs 2419159 Specdb::MsMs 2419160 Specdb::MsMs 2542769 Specdb::MsMs 2542770 Specdb::MsMs 2542771 Specdb::NmrOneD 269238 Specdb::NmrOneD 269239 Specdb::NmrOneD 269240 Specdb::NmrOneD 269241 Specdb::NmrOneD 269242 Specdb::NmrOneD 269243 Specdb::NmrOneD 269244 Specdb::NmrOneD 269245 Specdb::NmrOneD 269246 Specdb::NmrOneD 269247 Specdb::NmrOneD 269248 Specdb::NmrOneD 269249 Specdb::NmrOneD 269250 Specdb::NmrOneD 269251 Specdb::NmrOneD 269252 Specdb::NmrOneD 269253 Specdb::NmrOneD 269254 Specdb::NmrOneD 269255 Specdb::NmrOneD 269256 Specdb::NmrOneD 269257 HMDB31309 #<Reference:0x000055ce3164ba40> Blackberry Type 1 specific Rubus Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 Common mushroom Type 1 specific Agaricus bisporus 5341 Evergreen blackberry Type 1 specific Rubus laciniatus Fruits Unknown generic Green bean Type 1 specific Phaseolus vulgaris 3885 Herbs and Spices Unknown generic Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322 Potato Type 1 specific Solanum tuberosum 4113 Pulses Unknown generic Tortilla chip Type 2 specific Watermelon Type 1 specific Citrullus lanatus 3654 dirty earthy herbal metal mushroom musty