{"ymdb_id":"YMDB16092","created_at":"2016-08-03T23:53:13.000Z","updated_at":"2016-09-10T00:52:02.000Z","name":"alpha-Cyclocitral","cas":null,"state":null,"melting_point":null,"description":"alpha-Cyclocitral is a 50:50 mixture with 2,6,6-Trimethyl-1-cyclohexene-1-carboxaldehyde \u003cht\u003eNFQ78-Y\u003c/ht\u003e is used as a flavouring ingredient (*FEMA 3639*). alpha-Cyclocitral belongs to the family of Monocyclic Monoterpenes. These are monoterpenes containing 1 ring in the isoprene chain.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde","traditional_iupac":"2,6,6-trimethylcyclohex-2-ene-1-carbaldehyde","logp":"2.200046082333334","pka":null,"alogps_solubility":"1.17e+00 g/l","alogps_logp":"2.84","alogps_logs":"-2.11","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"17.07","refractivity":"47.342800000000004","polarizability":"17.924773359752425","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-7.130759385206607","pka_strongest_acidic":"18.447960004712847","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":[],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":19845354,"citation":"Robinson AL, Ebeler SE, Heymann H, Boss PK, Solomon PS, Trengove RD. (2009). \"Interactions between wine volatile compounds and grape and wine matrix components influence aroma compound headspace partitioning.\" J Agric Food Chem. 2009 Nov 11;57(21):10313-22."}],"proteins":[]}