1.0 2010-04-08 22:05:47 UTC 2015-07-20 21:55:02 UTC FDB003407 Methyl cyclohexanecarboxylate Flavouring ingredient Cyclohexanecarboxylic acid, methyl ester FEMA 3568 Hexahydrobenzoic acid methyl ester Methyl cyclohexanecarboxylate Methyl cyclohexanoate Methyl cyclohexylcarboxylate Methyl cyclohexylformate Methyl ester OF cyclohexanecarboxylic acid Methyl hexahydrobenzoate C8H14O2 142.1956 142.099379692 methyl cyclohexanecarboxylate methyl cyclohexanecarboxylate 4630-82-4 COC(=O)C1CCCCC1 InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3 ZQWPRMPSCMSAJU-UHFFFAOYSA-N belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group. Methyl 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 Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 1.85 ALOGPS logs -1.96 ALOGPS solubility 1.55e+00 g/l ALOGPS logp 2.04 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac methyl cyclohexanecarboxylate ChemAxon average_mass 142.1956 ChemAxon mono_mass 142.099379692 ChemAxon smiles COC(=O)C1CCCCC1 ChemAxon formula C8H14O2 ChemAxon inchi InChI=1S/C8H14O2/c1-10-8(9)7-5-3-2-4-6-7/h7H,2-6H2,1H3 ChemAxon inchikey ZQWPRMPSCMSAJU-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 38.62 ChemAxon polarizability 16.19 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20847 Specdb::CMs 27212 Specdb::CMs 100744 Specdb::CMs 153219 Specdb::MsIr 4401 Specdb::MsIr 4402 Specdb::MsMs 61755 Specdb::MsMs 61756 Specdb::MsMs 61757 Specdb::MsMs 118347 Specdb::MsMs 118348 Specdb::MsMs 118349 Specdb::MsMs 2805579 Specdb::MsMs 2805580 Specdb::MsMs 2805581 Specdb::MsMs 2877047 Specdb::MsMs 2877048 Specdb::MsMs 2877049 Specdb::NmrOneD 163549 Specdb::NmrOneD 163550 Specdb::NmrOneD 163551 Specdb::NmrOneD 163552 Specdb::NmrOneD 163553 Specdb::NmrOneD 163554 Specdb::NmrOneD 163555 Specdb::NmrOneD 163556 Specdb::NmrOneD 163557 Specdb::NmrOneD 163558 Specdb::NmrOneD 163559 Specdb::NmrOneD 163560 Specdb::NmrOneD 163561 Specdb::NmrOneD 163562 Specdb::NmrOneD 163563 Specdb::NmrOneD 163564 Specdb::NmrOneD 163565 Specdb::NmrOneD 163566 Specdb::NmrOneD 163567 Specdb::NmrOneD 163568 HMDB31343 #<Reference:0x000055ce3302c680> berry ester estery fruit fruity milk pineapple