{"ymdb_id":"YMDB01393","created_at":"2011-07-25T20:32:14.000Z","updated_at":"2016-09-08T18:36:38.000Z","name":"naphthalene","cas":"91-20-3","state":"Solid","melting_point":"80.2 oC","description":"Naphthalene is an organic compound with formula C10H8. It is a white crystalline solid with a characteristic odor that is detectable at concentrations as low as 0.08 ppm by mass. As an aromatic hydrocarbon, naphthalene's structure consists of a fused pair of benzene rings. It is best known as the main ingredient of traditional mothballs. Trace amounts of naphthalene are produced by magnolias and specific types of deer, as well as the Formosan subterranean termite, possibly produced by the termite as a repellant against \"ants, poisonous fungi and nematode worms.\" Some strains of the endophytic fungus Muscodor albus produce naphthalene among a range of volatile organic compounds, while Muscodor vitigenus produces naphthalene almost exclusively. [Wikipedia]","experimental_water_solubility":"0.031 mg/mL at 25 oC [PEARLMAN,RS et al. (1984)]","experimental_logp_hydrophobicity":"3.30 [HANSCH,C ET AL. (1995)]","location":"extracellular","synthesis_reference":null,"chebi_id":"16482","hmdb_id":null,"kegg_id":"C00829","pubchem_id":"931","cs_id":"906","foodb_id":null,"wikipedia_link":"naphthalene","biocyc_id":null,"iupac":"naphthalene","traditional_iupac":"naphthalene","logp":"2.9627225726666664","pka":null,"alogps_solubility":"6.61e-02 g/l","alogps_logp":"3.33","alogps_logs":"-3.29","acceptor_count":"0","donor_count":"0","rotatable_bond_count":"0","polar_surface_area":"0.0","refractivity":"42.5082","polarizability":"14.563251992506022","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":null,"pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"2","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["Albocarbon","Camphor tar","Dezodorator","Mighty rd1","Moth balls","Moth flakes","naftaleno","naftalina","naphtalene","naphtaline","Naphthalen","Naphthalene","Naphthalin","Naphthaline","Naphthene","Tar camphor","White tar"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":12236692,"citation":"Patel, S., Shibamoto, T. (2002). \"Effect of different strains of Saccharomyces cerevisiae on production of volatiles in Napa Gamay wine and Petite Sirah wine.\" J Agric Food Chem 50:5649-5653."}],"proteins":[]}