1.0 2010-04-08 22:09:06 UTC 2018-05-28 23:27:46 UTC FDB010397 Tolualdehydes (mixed o-, m-, p-) It is used as a food additive . C24H24O3 360.453 360.172544633 2-methylbenzaldehyde; 3-methylbenzaldehyde; 4-methylbenzaldehyde 2-methylbenzaldehyde; 3-methylbenzaldehyde; P-tolualdehyde 1334-78-7 CC1=CC=C(C=O)C=C1.CC1=CC(C=O)=CC=C1.CC1=CC=CC=C1C=O InChI=1S/3C8H8O/c1-7-2-4-8(6-9)5-3-7;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9/h3*2-6H,1H3 KWZQFJOLXNHBNL-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). Benzoyl derivatives Organic compounds Benzenoids Benzene and substituted derivatives Benzoyl derivatives Benzaldehydes Hydrocarbon derivatives Organic oxides Toluenes Aldehyde Aromatic homomonocyclic compound Aryl-aldehyde Benzaldehyde Benzoyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Toluene logp 1.99 ALOGPS logs -1.90 ALOGPS solubility 1.51e+00 g/l ALOGPS logp 2.2 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 2-methylbenzaldehyde; 3-methylbenzaldehyde; 4-methylbenzaldehyde ChemAxon average_mass 360.453 ChemAxon mono_mass 360.172544633 ChemAxon smiles CC1=CC=C(C=O)C=C1.CC1=CC(C=O)=CC=C1.CC1=CC=CC=C1C=O ChemAxon formula C24H24O3 ChemAxon inchi InChI=1S/3C8H8O/c1-7-2-4-8(6-9)5-3-7;1-7-3-2-4-8(5-7)6-9;1-7-4-2-3-5-8(7)6-9/h3*2-6H,1H3 ChemAxon inchikey KWZQFJOLXNHBNL-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 37.68 ChemAxon polarizability 13.17 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon chemical cherry coumarin powdery sweet