1.0 2010-04-08 22:10:02 UTC 2019-11-26 03:06:22 UTC FDB012197 Ethyl benzoate Found in various fruits, e.g. apple, banana, sweet cherryand is also present in milk, butter, wines, black tea, bourbon vanilla and fruit brandies. Flavouring agent As with many volatile esters, ethyl benzoate has a pleasant odor. It is a component of some artificial fruit flavors.; Ethyl benzoate is the ester formed by the condensation of benzoic acid and ethanol. It is a colorless liquid that is almost insoluble in water, but miscible with most organic solvents. 2-methoxy-1-phenyl-ethanone 2,4-Dihydroxy-6-methylbenzoate 2,4-Dihydroxy-6-methylbenzoic acid 4,6-Dihydroxy-o-toluic acid Benzoic acid, C12-13-alkyl esters Benzoic acid, C14-15-alkyl esters Benzoic acid, C9-11-alkyl esters Benzoic acid, ethyl ester Benzoic acid,ethyl ester Benzoic ether Benzoyl ethyl ether Ethyl benzenecarboxylate Ethyl benzoate Ethyl benzoic acid Ethylester kyseliny benzoove FEMA 2422 O-orsellinic acid Orsellinate C9H10O2 150.1745 150.068079564 ethyl benzoate ethyl benzoate 93-89-0 CCOC(=O)C1=CC=CC=C1 InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 MTZQAGJQAFMTAQ-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Benzoic acid esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Benzoyl derivatives Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Aromatic homomonocyclic compound Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 2.39 ALOGPS logs -2.26 ALOGPS solubility 8.26e-01 g/l ALOGPS melting_point Fp -34° logp 2.33 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac ethyl benzoate ChemAxon average_mass 150.1745 ChemAxon mono_mass 150.068079564 ChemAxon smiles CCOC(=O)C1=CC=CC=C1 ChemAxon formula C9H10O2 ChemAxon inchi InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3 ChemAxon inchikey MTZQAGJQAFMTAQ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 42.83 ChemAxon polarizability 16.22 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 2707 Specdb::NmrOneD 3399 Specdb::EiMs 683 Specdb::MsIr 6378 Specdb::MsIr 6379 Specdb::MsMs 99597 Specdb::MsMs 99598 Specdb::MsMs 99599 Specdb::MsMs 164751 Specdb::MsMs 164752 Specdb::MsMs 164753 Specdb::MsMs 2453650 Specdb::MsMs 2453651 Specdb::MsMs 2453652 Specdb::MsMs 2484924 Specdb::MsMs 2484925 Specdb::MsMs 2484926 Specdb::CMs 2344 Specdb::CMs 26752 Specdb::CMs 26836 Specdb::CMs 27416 Specdb::CMs 27548 Specdb::CMs 28098 Specdb::CMs 28139 Specdb::CMs 29118 Specdb::CMs 29568 Specdb::CMs 29619 Specdb::CMs 101473 Specdb::CMs 101474 Specdb::CMs 101475 Specdb::CMs 101476 Specdb::CMs 101477 Specdb::CMs 101478 Specdb::CMs 101479 Specdb::CMs 101480 Specdb::CMs 101481 Specdb::CMs 152236 HMDB33967 32807 #<Reference:0x000055ce31731ef0> Alcoholic beverages Unknown generic Allspice Type 1 specific Pimenta dioica 375272 Asian pear Type 1 specific Pyrus pyrifolia 3767 Black elderberry Type 1 specific Sambucus nigra 4202 Black tea Type 1 Blackberry Type 1 specific Rubus Blackcurrant Type 1 specific Ribes nigrum 78511 Cloves Type 1 specific Syzygium aromaticum 219868 Evergreen blackberry Type 1 specific Rubus laciniatus Fruits Unknown generic German camomile Type 1 specific Matricaria recutita 127986 Green tea Type 1 Herbal tea Type 1 Milk and milk products Unknown generic Papaya Type 1 specific Carica papaya 3649 Peach Type 1 specific Prunus persica 3760 Pomes Unknown generic Red tea Type 1 Sour cherry Type 1 specific Prunus cerasus 140311 Tea Type 1 specific Camellia sinensis 4442 anise balsam banana berry bitter camomile celery cherry cranberry dry flower fruit fruity grape minty musty plum raspberry strawberry sweet wintergreen Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.