1.0 2010-04-08 22:15:42 UTC 2020-09-17 15:34:48 UTC FDB021450 Benzyl formate Benzyl formate belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. Benzyl formate is an aromatic compound with the molecular formula C8H8O2. Benzyl formate is an almond, apricot, and black tea tasting compound. It is used in perfumery and food flavouring. Benzyl formate has been detected, but not quantified, in a few different foods, such as coffee and coffee products, fruits, and tea. Benzyl alcohol, formate Benzyl formiat Benzyl methanoate Benzyl methanoic acid Benzylester kyseliny mravenci BZO Carbobenzoxy group CBZ FEMA 2145 Formic acid benzyl ester Formic acid, benzyl ester Formic acid, phenylmethyl ester Phenylmercury stearate Phenylmethyl formate Phenylmethyl formic acid PHQ C8H8O2 136.1479 136.0524295 benzyl formate benzyl formate 104-57-4 O=COCC1=CC=CC=C1 InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2 UYWQUFXKFGHYNT-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 carboxylic ester carboxylic ester logp 1.72 ALOGPS logs -1.79 ALOGPS solubility 2.20e+00 g/l ALOGPS logp 1.6 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac benzyl formate ChemAxon average_mass 136.1479 ChemAxon mono_mass 136.0524295 ChemAxon smiles O=COCC1=CC=CC=C1 ChemAxon formula C8H8O2 ChemAxon inchi InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2 ChemAxon inchikey UYWQUFXKFGHYNT-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 37.53 ChemAxon polarizability 13.97 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 9261 Specdb::MsIr 9262 Specdb::CMs 26045 Specdb::CMs 28606 Specdb::CMs 29312 Specdb::CMs 102209 Specdb::CMs 102210 Specdb::CMs 145945 Specdb::NmrOneD 46922 Specdb::NmrOneD 46923 Specdb::NmrOneD 46924 Specdb::NmrOneD 46925 Specdb::NmrOneD 46926 Specdb::NmrOneD 46927 Specdb::NmrOneD 46928 Specdb::NmrOneD 46929 Specdb::NmrOneD 46930 Specdb::NmrOneD 46931 Specdb::NmrOneD 46932 Specdb::NmrOneD 46933 Specdb::NmrOneD 46934 Specdb::NmrOneD 46935 Specdb::NmrOneD 46936 Specdb::NmrOneD 46937 Specdb::NmrOneD 46938 Specdb::NmrOneD 46939 Specdb::NmrOneD 46940 Specdb::NmrOneD 46941 Specdb::MsMs 79359 Specdb::MsMs 79360 Specdb::MsMs 79361 Specdb::MsMs 139926 Specdb::MsMs 139927 Specdb::MsMs 139928 Specdb::MsMs 2384051 Specdb::MsMs 2384052 Specdb::MsMs 2384053 Specdb::MsMs 2581548 Specdb::MsMs 2581549 Specdb::MsMs 2581550 HMDB41485 #<Reference:0x000055ac402065b0> Arabica coffee Type 1 specific Coffea arabica 13443 Black tea Type 1 Coffee and coffee products Unknown generic Fruits Unknown generic Green tea Type 1 Herbal tea Type 1 Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Tea Type 1 specific Camellia sinensis 4442 almond apricot black tea cranberry floral fruity pineapple spicy