1.0 2010-04-08 22:09:56 UTC 2019-11-26 03:05:56 UTC FDB012004 Ethyl gallate Occurs, inter alia, in Indian gooseberry (Phyllanthus emblica). Ethyl gallate is found in many foods, some of which are grape wine, fruits, guava, and vinegar. 3,4,5-Trihydroxybenzoic acid ethyl ester Ethyl 3,4,5-trihydroxybenzoate Ethyl gallate Ethylgallate Gallic acid ethyl ester NIPA 48 Nipagallin a Phyllemblin Progallin A C9H10O5 198.174 198.052823422 ethyl 3,4,5-trihydroxybenzoate ethyl gallate 831-61-8 CCOC(=O)C1=CC(O)=C(O)C(O)=C1 InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3 VFPFQHQNJCMNBZ-UHFFFAOYSA-N belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid. Galloyl esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoyl derivatives Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Polyols Pyrogallols and derivatives m-Hydroxybenzoic acid esters p-Hydroxybenzoic acid alkyl esters 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenetriol Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Galloyl ester Hydrocarbon derivative M-hydroxybenzoic acid ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound P-hydroxybenzoic acid alkyl ester P-hydroxybenzoic acid ester Phenol Polyol Pyrogallol derivative gallate ester logp 1.48 ALOGPS logs -1.76 ALOGPS solubility 3.42e+00 g/l ALOGPS melting_point Mp 160-162° (anhyd.) logp 1.42 ChemAxon pka_strongest_acidic 8.11 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac ethyl 3,4,5-trihydroxybenzoate ChemAxon average_mass 198.174 ChemAxon mono_mass 198.052823422 ChemAxon smiles CCOC(=O)C1=CC(O)=C(O)C(O)=C1 ChemAxon formula C9H10O5 ChemAxon inchi InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3 ChemAxon inchikey VFPFQHQNJCMNBZ-UHFFFAOYSA-N ChemAxon polar_surface_area 86.99 ChemAxon refractivity 48.77 ChemAxon polarizability 19.08 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1674 Specdb::CMs 5656 Specdb::CMs 31633 Specdb::CMs 43531 Specdb::CMs 167996 Specdb::MsIr 6291 Specdb::MsIr 6292 Specdb::MsIr 6293 Specdb::MsMs 7331 Specdb::MsMs 7332 Specdb::MsMs 7333 Specdb::MsMs 14003 Specdb::MsMs 14004 Specdb::MsMs 14005 Specdb::MsMs 3044788 Specdb::MsMs 3044789 Specdb::MsMs 3044790 Specdb::MsMs 3099460 Specdb::MsMs 3099461 Specdb::MsMs 3099462 Specdb::NmrOneD 123158 Specdb::NmrOneD 123159 Specdb::NmrOneD 123160 Specdb::NmrOneD 123161 Specdb::NmrOneD 123162 Specdb::NmrOneD 123163 Specdb::NmrOneD 123164 Specdb::NmrOneD 123165 Specdb::NmrOneD 123166 Specdb::NmrOneD 123167 Specdb::NmrOneD 123168 Specdb::NmrOneD 123169 Specdb::NmrOneD 123170 Specdb::NmrOneD 123171 Specdb::NmrOneD 123172 Specdb::NmrOneD 123173 Specdb::NmrOneD 123174 Specdb::NmrOneD 123175 Specdb::NmrOneD 123176 Specdb::NmrOneD 123177 HMDB33836 #<Reference:0x000055ce30609998> #<Reference:0x000055ce306097e0> #<Reference:0x000055ce30609628> Fruits Unknown generic Grape wine Type 2 specific 1.535182 1.535181826 1.535181826 mg/100 g Guava Type 1 specific Psidium guajava 120290 Vinegar Type 2 specific 0.178478 0.178478261 0.178478261 mg/100 g Anti methicillin-resistant Staphylococcus aureus 447 A substance that kills or slows the growth of bacteria.