{"ymdb_id":"YMDB01687","created_at":"2011-08-31T03:35:51.000Z","updated_at":"2016-09-08T18:37:00.000Z","name":"Ethyl vanillin","cas":"121-32-4","state":"Solid","melting_point":"77.5 oC","description":"Ethyl vanillin is a compound responsible for a strong vanilla aroma similar to Bourbon.","experimental_water_solubility":"2.82 mg/mL at 25 oC [JIN,LJ et al. (1998)]","experimental_logp_hydrophobicity":"1.58 [BAZACO,JF \u0026 COCA,CM (1989)]","location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"8467","cs_id":"8154","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"3-ethoxy-4-hydroxybenzaldehyde","traditional_iupac":"ethyl vanillin","logp":"1.5813195279999994","pka":null,"alogps_solubility":"2.72e+00 g/l","alogps_logp":"1.82","alogps_logs":"-1.79","acceptor_count":"3","donor_count":"1","rotatable_bond_count":"3","polar_surface_area":"46.53","refractivity":"45.834700000000005","polarizability":"16.99718572206679","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.909658530104724","pka_strongest_acidic":"7.794547544928909","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"0","mddr_like_rule":"0","synonyms":["3-Ethoxy-4-hydroxybenzaldehyde","3-methoxy-4-hydroxybenzaldehyde","4-formyl-2-methoxyphenol","4-Hydroxy-3-ethoxybenzaldehyde","4-Hydroxy-3-methoxy-benzaldehyde","4-Hydroxy-3-methoxybenzaldehyde","4-hydroxy-m-anisaldehyde","Benzaldehyde, 3-ethoxy-4-hydroxy-","Bourbonal","Ethavan","Ethovan","Ethyl proto-catechualdehyde-3-ethyl ether","Ethyl protocatechualdehyde","Ethyl vanillin (NF)","Ethylprotal","Ethylprotocatechuic aldehyde","Ethylvanillin","methylprotocatechuic aldehyde","p-hydroxy-m-methoxybenzaldehyde","p-vanillin","Protocatechuic aldehyde 3-ethyl ether","Protocatechuic aldehyde ethyl ether","Quantrovanil","Rhodiarome","Vanbeenol","Vanilal","vaniline","Vanillal","Vanillaldehyde","vanillic aldehyde","Vanillin","Vanillin, ethyl-","Vanirom"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}