1.0 2010-04-08 22:05:47 UTC 2019-11-26 02:59:11 UTC FDB003417 Cyclohexyl acetate Cyclohexyl acetate is a flavouring agent. It is found in many foods, some of which are pulses, soy bean, brassicas, and onion-family vegetables. Acetic acid cyclohexyl ester Acetic acid, cyclohexyl ester Adronal acetate Cyclohexane acetate Cyclohexanol, acetate Cyclohexanolazetat Cyclohexanyl acetate Cyclohexyl ester of acetic acid Cyclohexylester kyseliny octove FEMA 2349 H.a. solvent Hexalin acetate C8H14O2 142.1956 142.099379692 cyclohexyl acetate cyclohexyl acetate 622-45-7 CC(=O)OC1CCCCC1 InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3 YYLLIJHXUHJATK-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Carboxylic acid esters Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Aliphatic homomonocyclic compounds Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homomonocyclic compound Carbonyl group Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound carboxylic ester Liquid logp 2.05 ALOGPS logs -2.13 ALOGPS solubility 1.06e+00 g/l ALOGPS melting_point -65 oC logp 1.72 ChemAxon pka_strongest_basic -7 ChemAxon iupac cyclohexyl acetate ChemAxon average_mass 142.1956 ChemAxon mono_mass 142.099379692 ChemAxon smiles CC(=O)OC1CCCCC1 ChemAxon formula C8H14O2 ChemAxon inchi InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3 ChemAxon inchikey YYLLIJHXUHJATK-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 38.43 ChemAxon polarizability 16.03 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 3934 Specdb::NmrOneD 4213 Specdb::EiMs 1966 Specdb::MsIr 4407 Specdb::MsIr 4408 Specdb::CMs 24535 Specdb::CMs 27054 Specdb::CMs 27197 Specdb::CMs 28085 Specdb::CMs 28127 Specdb::CMs 28504 Specdb::CMs 100751 Specdb::CMs 100752 Specdb::CMs 100753 Specdb::CMs 100754 Specdb::CMs 100755 Specdb::CMs 166559 Specdb::MsMs 320266 Specdb::MsMs 320267 Specdb::MsMs 320268 Specdb::MsMs 367606 Specdb::MsMs 367607 Specdb::MsMs 367608 Specdb::MsMs 2780023 Specdb::MsMs 2780024 Specdb::MsMs 2780025 Specdb::MsMs 2925364 Specdb::MsMs 2925365 Specdb::MsMs 2925366 HMDB31352 #<Reference:0x000055ce3326a2f8> Brassicas Unknown generic 3705 Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Pulses Unknown generic Red onion Type 1 Soy bean Type 1 specific Glycine max 3847 Welsh onion Type 1 specific Allium fistulosum 35875 ethereal fruity musty sweet