1.0 2020-03-18 23:23:13 UTC 2020-12-07 19:07:01 UTC CDB000058 Benzyl acetate Benzyl acetate, also known as benzyl ethanoate, is an organic ester formed from the condensation of benzyl alcohol and acetic acid. Benzyl acetate is a neutral compound with a sweet jasmine-like aroma and a sweet, apple, and apricot taste. Benzyl acetate is found in highest concentration in sweet basils and is detected in figs, fruits, pomes, tea, and alcoholic beverages making benzyl acetate a potential biomarker for the consumption of these foods. Benzyl acetate is used as a flavoring agent to impart jasmine or apple flavors to various cosmetics and personal care products like lotions, hair creams (https://doi.org/10.1016/B978-0-443-06241-4.00013-8). Benzyl alcohol was also found in cannabis plants (PMID: 6991645). Benzyl acetate is a constituent of cannabis smoke and is volatilized during the combustion of cannabis (https://doi.org/10.1007/978-1-59259-947-9_2). Acetic acid, benzyl ester Acetic acid, phenylmethyl ester Benzyl ethanoate Phenylmethyl ethanoate Acetate, benzyl ester Acetate, phenylmethyl ester Benzyl ethanoic acid Phenylmethyl ethanoic acid Benzyl acetic acid (Acetoxymethyl)benzene acetato De bencilo Acetic acid benzyl ester Acetic acid phenylmethyl ester alpha-Acetoxytoluene Benzyl acetate + glycine combination Benzyl ester OF acetic acid Benzylester kyseliny octove FEMA 2135 Nchem.167-comp5 Phenylmethyl acetate Plastolin I (14C)Benzyl acetate Benzyl (1-14C)acetate Benzyl (2-14C)acetate C9H10O2 150.17 150.0681 benzyl acetate benzyl acetate 140-11-4 CC(=O)OCC1=CC=CC=C1 InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3 QUKGYYKBILRGFE-UHFFFAOYSA-N belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. Benzyloxycarbonyls Organic compounds Benzenoids Benzene and substituted derivatives Benzyloxycarbonyls Aromatic homomonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Benzyloxycarbonyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound a small molecule acetate ester water_solubility 3.1 mg/mL at 25 °C logp 1.96 melting_point -51.3 °C boiling_point 212 °C Wikipedia logp 2.07 ALOGPS logs -2.46 ALOGPS logp 1.65 ChemAxon pka_strongest_basic -7 ChemAxon iupac benzyl acetate ChemAxon average_mass 150.17 ChemAxon mono_mass 150.0681 ChemAxon smiles CC(=O)OCC1=CC=CC=C1 ChemAxon formula C9H10O2 ChemAxon inchi InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3 ChemAxon inchikey QUKGYYKBILRGFE-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 42.03 ChemAxon polarizability 16.03 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon C15513 FDB003367 13850405 8785 52051 C00035535 J0Z CPD-6501 Benzyl acetate Turner CE, Elsohly MA, Boeren EG: Constituents of Cannabis sativa L. XVII. A review of the natural constituents. J Nat Prod. 1980 Mar-Apr;43(2):169-234. doi: 10.1021/np50008a001. 6991645