1.0 2010-04-08 22:05:46 UTC 2020-09-17 15:30:03 UTC FDB003367 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). (acetoxymethyl)benzene &alpha;-acetoxytoluene Acetate, benzyl ester Acetate, phenylmethyl ester Acetato de bencilo Acetic acid benzyl ester Acetic acid phenylmethyl ester Acetic acid, benzyl ester Acetic acid, phenylmethyl ester Alpha-acetoxytoluene Benzyl acetate + glycine combination Benzyl ester of acetic acid Benzyl ethanoate Benzyl ethanoic acid Benzylester kyseliny octove FEMA 2135 nchem.167-comp5 Phenylmethyl acetate Phenylmethyl ethanoate Phenylmethyl ethanoic acid Plastolin I C9H10O2 150.1745 150.068079564 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 Liquid logp 2.07 ALOGPS logs -2.46 ALOGPS solubility 5.20e-01 g/l ALOGPS melting_point -51.3 oC logp 1.65 ChemAxon pka_strongest_basic -7 ChemAxon iupac benzyl acetate ChemAxon average_mass 150.1745 ChemAxon mono_mass 150.068079564 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 Specdb::EiMs 822 Specdb::NmrOneD 2239 Specdb::NmrOneD 2934 Specdb::MsIr 4336 Specdb::MsIr 4337 Specdb::CMs 25945 Specdb::CMs 26985 Specdb::CMs 27811 Specdb::CMs 28507 Specdb::CMs 29877 Specdb::CMs 100707 Specdb::CMs 100708 Specdb::CMs 100709 Specdb::CMs 100710 Specdb::CMs 166776 Specdb::MsMs 10730 Specdb::MsMs 10731 Specdb::MsMs 10732 Specdb::MsMs 17402 Specdb::MsMs 17403 Specdb::MsMs 17404 Specdb::MsMs 1470839 Specdb::MsMs 1470860 Specdb::MsMs 1471162 Specdb::MsMs 1471184 Specdb::MsMs 2228382 Specdb::MsMs 2231212 Specdb::MsMs 2232994 Specdb::MsMs 2233531 Specdb::MsMs 2235393 Specdb::MsMs 2324980 Specdb::MsMs 2324981 Specdb::MsMs 2324982 Specdb::MsMs 2609810 Specdb::MsMs 2609811 Specdb::MsMs 2609812 HMDB31310 52051 J0Z #<Reference:0x000055ac408d4f40> Alcoholic beverages Unknown generic Apple Type 1 specific Malus pumila 283210 Black tea Type 1 Brassicas Unknown generic 3705 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Ceylon cinnamon Type 1 specific Cinnamomum verum 128608 Cloves Type 1 specific Syzygium aromaticum 219868 Fig Type 1 specific Ficus carica 3494 Fruits Unknown generic Green tea Type 1 Herbal tea Type 1 Muskmelon Type 1 specific Cucumis melo 3656 Peach Type 1 specific Prunus persica 3760 Pomes Unknown generic Red tea Type 1 Sweet basil Type 1 specific Ocimum basilicum 39350 9.0 9.0 9.0 mg/100 g Tea Type 1 specific Camellia sinensis 4442 apple apricot bitter boiled vegetable boiledvegetable cherry floral fresh fruity jasmin jasmine plum sweet acaricide 16 A substance used to destroy pests of the subclass Acari (mites and ticks). cardiotonic 771 A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. emetic 899 flavor 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. hypotensive 1021 irritant 1055 laxative 1065 An agent that produces a soft formed stool, and relaxes and loosens the bowels, typically used over a protracted period, to relieve constipation. Compare with cathartic, which is a substance that accelerates defecation. A substances can be both a laxative and a cathartic. tumorigenic 1388 A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. varroacide 1410