1.0 2010-04-08 22:14:59 UTC 2015-07-21 06:45:15 UTC FDB020381 Allyl cyclohexylacetate Flavouring ingredient 1,3,4-Thiadiazol-2-amine 1,3,4-Thiadiazole-2-ylamine 1,3,4-Thiadiazole, 2-amino 1,3,4-Thiadiazole, 2-amino- 2-Amino-1-thia-3,4-diazole 2-Amino-1,3,4-thiadiazole 2-Aminothiadiazole A-tda ADTA Allyl cyclohexylacetate Aminothiadazole Aminothiadiazole ATDA FEMA 2023 C11H18O2 182.2594 182.13067982 prop-2-en-1-yl 2-cyclohexylacetate prop-2-en-1-yl 2-cyclohexylacetate 4728-82-9 C=CCOC(=O)CC1CCCCC1 InChI=1S/C11H18O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2 UECFOOSFSUDPOR-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 logp 3.56 ALOGPS logs -3.66 ALOGPS solubility 4.00e-02 g/l ALOGPS logp 2.96 ChemAxon pka_strongest_basic -7 ChemAxon iupac prop-2-en-1-yl 2-cyclohexylacetate ChemAxon average_mass 182.2594 ChemAxon mono_mass 182.13067982 ChemAxon smiles C=CCOC(=O)CC1CCCCC1 ChemAxon formula C11H18O2 ChemAxon inchi InChI=1S/C11H18O2/c1-2-8-13-11(12)9-10-6-4-3-5-7-10/h2,10H,1,3-9H2 ChemAxon inchikey UECFOOSFSUDPOR-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 52.35 ChemAxon polarizability 21.13 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 69201 Specdb::MsMs 69202 Specdb::MsMs 69203 Specdb::MsMs 127425 Specdb::MsMs 127426 Specdb::MsMs 127427 Specdb::MsMs 2373240 Specdb::MsMs 2373241 Specdb::MsMs 2373242 Specdb::MsMs 2565971 Specdb::MsMs 2565972 Specdb::MsMs 2565973 Specdb::CMs 11418 Specdb::CMs 29080 Specdb::CMs 102178 Specdb::CMs 149450 Specdb::MsIr 9045 Specdb::MsIr 9046 HMDB40595 #<Reference:0x000055ce326d6ef0> apricot fruity green peach pineapple ripe sweet