{"ymdb_id":"YMDB01784","created_at":"2011-08-31T03:44:56.000Z","updated_at":"2016-09-08T18:37:07.000Z","name":"Sorbic acid","cas":"110-44-1","state":"Solid","melting_point":"134.5 oC","description":"Sorbic acid (2,4-hexadienoic acid) is a natural organic compound used as a food preservative.","experimental_water_solubility":"1.91 mg/mL at 30 oC [YALKOWSKY,SH \u0026 DANNENFELSER,RM (1992)]","experimental_logp_hydrophobicity":"1.33 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"38358","hmdb_id":null,"kegg_id":"C08502","pubchem_id":"643460","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"(2E,4E)-hexa-2,4-dienoic acid","traditional_iupac":"sorbic acid","logp":"1.4467979606666663","pka":null,"alogps_solubility":"1.72e+01 g/l","alogps_logp":"1.77","alogps_logs":"-0.81","acceptor_count":"2","donor_count":"1","rotatable_bond_count":"2","polar_surface_area":"37.3","refractivity":"33.2835","polarizability":"11.79749525845454","formal_charge":"0","physiological_charge":"-1","pka_strongest_basic":null,"pka_strongest_acidic":"5.007006715873307","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["(2-Butenylidene)acetic acid","(2E,4E)-2,4-Hexadienoic acid","(E,E)-1,3-pentadiene-1-carboxylic acid","(E,E)-2,4-hexadienoic acid","(E,E)-SA","(E,E)-Sorbic acid","1,3-Pentadiene-1-carboxylic acid","2-Propenylacrylic acid","2, 4-Hexadienoic acid potassium salt","2,4-Hexadienoic acid","2,4-Hexadienoic acid, potassium salt","Acetic acid, (2-butenylidene)-","Acetic acid, crotylidene-","alpha-trans-gamma-trans-sorbic acid","Crotylidene acetic acid","Hexa-2,4-dienoic acid","Hexadienic acid","Hexadienoic acid","Hexadienoic acid, (E,E)","Hexadienoic acid1,3-pentadiene-1-carboxylic acid","Kyselina 1,3-pentadien-1-karboxylova","Kyselina sorbova","Panosorb","Parasorbic acid","Potassium sorbate","Preservastat","SA","Sorbic acid (NF)","Sorbic acid, (E,E)-","Sorbic acid, potassium salt (VAN)","Sorbistat","Sorbistat-K","trans,trans-2,4-Hexadienoic acid","trans,trans-SA","trans,trans-Sorbic acid"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}