1.0 2010-04-08 22:08:13 UTC 2020-09-17 15:31:11 UTC FDB008722 4-Ethylbenzaldehyde 4-Ethylbenzaldehyde, also known as benzaldehyde,4-ethyl or EBAL, 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-). 4-Ethylbenzaldehyde is a neutral compound. 4-Ethylbenzaldehyde is a colorless to pale yellow clear liquid with a bitter almond, sweet, anise, cherry odor (http://www.thegoodscentscompany.com/data/rw1038111.html#toorgano). 4-Ethylbenzaldehyde has been in alcoholic beverages, nuts, and tea. This could make 4-ethylbenzaldehyde a potential biomarker for the consumption of these foods. 4-Ethylbenzaldehye is a derivative of benzaldehyde. As a volatile component 4-ethylbenzaldehyde is found in plants such as Z. mays (https://doi.org/10.1007/s11356-017-0140-x). 4-Ethyl-benzaldehyde Benzaldehyde, 4-ethyl- Benzaldehyde, ethyl- Benzaldehyde, p-ethyl- BENZALDEHYDE,4-ETHYL EBAL Ethyl benzaldehyde Ethyl-benzaldehyde Ethylbenzaldehyde, p- FEMA 3756 P-Ethyl-benzaldehyde P-ethylbenzaldehyde C9H10O 134.1751 134.073164942 4-ethylbenzaldehyde 4-ethylbenzaldehyde 4748-78-1 CCC1=CC=C(C=O)C=C1 InChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3 QNGNSVIICDLXHT-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 Aromatic homomonocyclic compounds Benzaldehydes Hydrocarbon derivatives Organic oxides Aldehyde Aromatic homomonocyclic compound Aryl-aldehyde Benzaldehyde Benzoyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound logp 2.71 ALOGPS logs -2.57 ALOGPS solubility 3.60e-01 g/l ALOGPS logp 2.64 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 4-ethylbenzaldehyde ChemAxon average_mass 134.1751 ChemAxon mono_mass 134.073164942 ChemAxon smiles CCC1=CC=C(C=O)C=C1 ChemAxon formula C9H10O ChemAxon inchi InChI=1S/C9H10O/c1-2-8-3-5-9(7-10)6-4-8/h3-7H,2H2,1H3 ChemAxon inchikey QNGNSVIICDLXHT-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 42.28 ChemAxon polarizability 15.12 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5017 Specdb::CMs 23076 Specdb::CMs 28438 Specdb::CMs 29344 Specdb::CMs 29788 Specdb::CMs 100987 Specdb::CMs 100988 Specdb::CMs 100989 Specdb::CMs 160164 Specdb::MsMs 317239 Specdb::MsMs 317240 Specdb::MsMs 317241 Specdb::MsMs 363667 Specdb::MsMs 363668 Specdb::MsMs 363669 Specdb::MsMs 2262850 Specdb::MsMs 2262851 Specdb::MsMs 2262852 Specdb::MsMs 3078777 Specdb::MsMs 3078778 Specdb::MsMs 3078779 HMDB32024 #<Reference:0x000055ce300ae070> #<Reference:0x000055ce300adeb8> #<Reference:0x000055ce300add00> #<Reference:0x000055ce300adb48> #<Reference:0x000055ce300ad990> Alcoholic beverages Unknown generic Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Nuts Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442 almond bitter sweet