1.0 2010-04-08 22:07:59 UTC 2019-11-26 03:02:20 UTC FDB008241 3-Penten-2-one Flavouring ingredient. Found in roasted peanuts, roasted filbert, cranberry, bilberry, coca, tea and other foods Methyl propenyl ketone is a volatile organic compound. Methyl propenyl ketone is occasionally found as a volatile component of normal human biofluids. It is found as a volatile in the hawthorn fruit upon ripening, and also is part of the scent components of the urine of some animals. (PMID: 5556886, 16770722, 15739361, 914932) (3E)-3-Penten-2-one (3E)-pent-3-en-2-one (E)-3-Penten-2-one 2-Oxo-3-pentene 3-Penten-2-one (methyl vinyl ketone) 3-Penten-2-one (trans) 3-penten-2-one, (3E)- 3-Penten-2-one, (E)- 3-Pentene-2-one Ethylidene acetone FEMA no. 3417 Methyl 1-propenyl ketone Methyl propenyl ketone pent-3-en-2-one C5H8O 84.1164 84.057514878 (3Z)-pent-3-en-2-one (3Z)-pent-3-en-2-one 625-33-2 C\C=C/C(C)=O InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3- LABTWGUMFABVFG-ARJAWSKDSA-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 Solid logp 1.48 ALOGPS logs -0.42 ALOGPS solubility 3.22e+01 g/l ALOGPS logp 1.25 ChemAxon pka_strongest_acidic 19.86 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac (3Z)-pent-3-en-2-one ChemAxon average_mass 84.1164 ChemAxon mono_mass 84.057514878 ChemAxon smiles C\C=C/C(C)=O ChemAxon formula C5H8O ChemAxon inchi InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3- ChemAxon inchikey LABTWGUMFABVFG-ARJAWSKDSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 26.52 ChemAxon polarizability 9.51 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1901 HMDB01184 #<Reference:0x000055ce30eb95e8> #<Reference:0x000055ce30eb93e0> #<Reference:0x000055ce30eb91b0> #<Reference:0x000055ce30eb8fa8> Black elderberry Type 1 specific Sambucus nigra 4202 Black tea Type 1 Blackberry Type 1 specific Rubus Cauliflower Type 1 specific Brassica oleracea var. botrytis 3715 Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Corn Type 1 specific Zea mays 4577 0.0 0.0 0.0 mg/L Evergreen blackberry Type 1 specific Rubus laciniatus Fruits Unknown generic Green tea Type 1 Herbal tea Type 1 Nuts Unknown generic Red tea Type 1 Safflower Type 1 specific Carthamus tinctorius 4222 0.028 0.028 0.028 mg/100 g Tamarind Type 1 specific Tamarindus indica 58860 Tea Type 1 specific Camellia sinensis 4442 acetone fishy fruity phenolic