1.02010-04-08 22:09:06 UTC2018-05-28 23:27:46 UTCFDB010397Tolualdehydes (mixed o-, m-, p-)It is used as a food additive .C24H24O3360.453360.1725446332-methylbenzaldehyde; 3-methylbenzaldehyde; 4-methylbenzaldehyde2-methylbenzaldehyde; 3-methylbenzaldehyde; P-tolualdehyde1334-78-7CC1=CC=C(C=O)C=C1.CC1=CC(C=O)=CC=C1.CC1=CC=CC=C1C=OInChI=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,1H3KWZQFJOLXNHBNL-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 derivativesOrganic compoundsBenzenoidsBenzene and substituted derivativesBenzoyl derivativesBenzaldehydesHydrocarbon derivativesOrganic oxidesToluenesAldehydeAromatic homomonocyclic compoundAryl-aldehydeBenzaldehydeBenzoylHydrocarbon derivativeOrganic oxideOrganic oxygen compoundOrganooxygen compoundToluenelogp1.99logs-1.90solubility1.51e+00 g/llogp2.2pka_strongest_basic-7.1iupac2-methylbenzaldehyde; 3-methylbenzaldehyde; 4-methylbenzaldehydeaverage_mass360.453mono_mass360.172544633smilesCC1=CC=C(C=O)C=C1.CC1=CC(C=O)=CC=C1.CC1=CC=CC=C1C=OformulaC24H24O3inchiInChI=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,1H3inchikeyKWZQFJOLXNHBNL-UHFFFAOYSA-Npolar_surface_area17.07refractivity37.68polarizability13.17rotatable_bond_count3acceptor_count1donor_count0physiological_charge0formal_charge0chemicalcherrycoumarinpowderysweet