1.0 2016-05-19 02:29:39 UTC 2026-04-17 16:09:13 UTC 4-(2,6,6-TRIMETHYLCYCLOHEXA-1,3-DIENYL)BUT-2-EN-4-ONE SmallMolecule 4-(2,6,6-TRIMETHYLCYCLOHEXA-1,3-DIENYL)BUT-2-EN-4-ONE is an organic compound with the formula C13H18O and an average molecular weight of 190.29 g/mol. 4-(2,6,6-TRIMETHYLCYCLOHEXA-1,3-DIENYL)BUT-2-EN-4-ONE belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. In industrial applications, this substance is utilized as a fragrance, as well as a flavouring and nutrient. It has been recorded in 11 different sources. Within the category of food, food processing, and cookware, it is found in the treatment of hops, the preparation of vinegar, the preparation of wine or sparkling wine, and cellar tools. In the realm of electrical and electronic equipment, it is associated with magnets. Additionally, it is released from various household cleaning and consumer products, including tobacco pipes, tobacco product cases, other smoking requisites, pipe accessories, and non electric simulated smoking devices, among one other product. 3,5,8-Megastigmatrien-7-one beta-Damascenone Damascenone C13H18O 190.286 190.1357652 (2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one damascenone 23696-85-7 C\C=C\C(=O)C1=C(C)C=CCC1(C)C InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+ POIARNZEYGURDG-FNORWQNLSA-N Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Enones Acryloyl compounds Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Aliphatic homomonocyclic compound Enone Hydrocarbon derivative Ketone Organic oxide Aliphatic homomonocyclic compounds C40 isoprenoids (tetraterpenes) apo carotenoid monoterpenoid cyclic monoterpene ketone enone Detected and Not Quantified logp 4.02 ALOGPS logs -3.00 ALOGPS solubility 1.91e-01 g/l ALOGPS logp 3.68 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac (2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one ChemAxon average_mass 190.286 ChemAxon mono_mass 190.1357652 ChemAxon smiles C\C=C\C(=O)C1=C(C)C=CCC1(C)C ChemAxon formula C13H18O ChemAxon inchi InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+ ChemAxon inchikey POIARNZEYGURDG-FNORWQNLSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 63.02 ChemAxon polarizability 22.61 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722339f480> 5366074 4517997