1.0 2011-09-21 00:20:34 UTC 2018-05-02 12:45:20 UTC FDB022852 Monoethyl phthalate Monoethyl phthalate (mEtP) is a metabolite, or breakdown product, of diethyl phthalate, used in perfume, cologne, deodorant, soap, shampoo, lotion, and other personal care products, particularly those containing fragrance (http://www.ewg.org/sites/humantoxome/chemicals/chemical.php?chemid=100364). [HMDB] 2-(Ethoxycarbonyl)benzoate 2-(Ethoxycarbonyl)benzoic acid MEtP Phthalate monoethyl ester Phthalic acid monoethyl ester C10H10O4 194.184 194.057908808 2-(ethoxycarbonyl)benzoic acid 2-(ethoxycarbonyl)benzoic acid 2306-33-4 CCOC(=O)C1=CC=CC=C1C(O)=O InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12) YWWHKOHZGJFMIE-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 Benzoic acids Benzoyl derivatives Carboxylic acid esters Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organooxygen compounds Aromatic homomonocyclic compound Benzoate ester Benzoic acid Benzoyl Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound dicarboxylic acid monoester ethyl ester phthalate ester Solid logp 1.77 ALOGPS logs -2.03 ALOGPS solubility 1.81e+00 g/l ALOGPS logp 1.99 ChemAxon pka_strongest_acidic 3.08 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-(ethoxycarbonyl)benzoic acid ChemAxon average_mass 194.184 ChemAxon mono_mass 194.057908808 ChemAxon smiles CCOC(=O)C1=CC=CC=C1C(O)=O ChemAxon formula C10H10O4 ChemAxon inchi InChI=1S/C10H10O4/c1-2-14-10(13)8-6-4-3-5-7(8)9(11)12/h3-6H,2H2,1H3,(H,11,12) ChemAxon inchikey YWWHKOHZGJFMIE-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 50.09 ChemAxon polarizability 18.96 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 2293 Specdb::NmrOneD 2996 Specdb::EiMs 1003 Specdb::CMs 25013 Specdb::CMs 38278 Specdb::CMs 174004 Specdb::MsIr 1625 Specdb::MsIr 1626 Specdb::MsIr 1627 Specdb::MsMs 68289 Specdb::MsMs 68290 Specdb::MsMs 68291 Specdb::MsMs 126279 Specdb::MsMs 126280 Specdb::MsMs 126281 Specdb::MsMs 439376 Specdb::MsMs 439377 Specdb::MsMs 440578 Specdb::MsMs 449155 Specdb::MsMs 449156 Specdb::MsMs 449157 Specdb::MsMs 449158 Specdb::MsMs 2253104 Specdb::MsMs 2253348 Specdb::MsMs 2255449 Specdb::MsMs 2678851 Specdb::MsMs 2678852 Specdb::MsMs 2678853 Specdb::MsMs 3030278 Specdb::MsMs 3030279 Specdb::MsMs 3030280 HMDB02120 #<Reference:0x000055ce319c7408> #<Reference:0x000055ce319c7250>