1.0 2010-04-08 22:07:57 UTC 2015-07-20 22:19:07 UTC FDB008150 4-Methylcyclohexanone Flavouring for baked goods and candies 4-Methyl-1-cyclohexanone 4-Methyl-cyclohexanone Cyclohexanone, 4-methyl- Cyclohexanone, methyl- CYCLOHEXANONE,4-METHYL FEMA 3948 Methycyclohexanone Methyl-4 cyclohexanone-1 Methyl-cyclohexanone Methylcyclohexanone Methylcyclohexanone [UN2297] [Flammable liquid] Metylocykloheksanon P-methyl cyclohexanone Tetrahydro-p-cresol C7H12O 112.1696 112.088815006 4-methylcyclohexan-1-one 4-methylcyclohexanone 589-92-4 CC1CCC(=O)CC1 InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3 VGVHNLRUAMRIEW-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety. Cyclic ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aliphatic homomonocyclic compounds Hydrocarbon derivatives Organic oxides Aliphatic homomonocyclic compound Cyclic ketone Hydrocarbon derivative Organic oxide logp 1.46 ALOGPS logs -1.28 ALOGPS solubility 5.94e+00 g/l ALOGPS melting_point Fp -40.6° logp 1.78 ChemAxon pka_strongest_basic -7.3 ChemAxon iupac 4-methylcyclohexan-1-one ChemAxon average_mass 112.1696 ChemAxon mono_mass 112.088815006 ChemAxon smiles CC1CCC(=O)CC1 ChemAxon formula C7H12O ChemAxon inchi InChI=1S/C7H12O/c1-6-2-4-7(8)5-3-6/h6H,2-5H2,1H3 ChemAxon inchikey VGVHNLRUAMRIEW-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 32.8 ChemAxon polarizability 13.11 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24958 Specdb::CMs 27288 Specdb::CMs 29791 Specdb::CMs 100848 Specdb::CMs 100849 Specdb::CMs 168815 Specdb::MsIr 4601 Specdb::MsIr 4602 Specdb::MsMs 67953 Specdb::MsMs 67954 Specdb::MsMs 67955 Specdb::MsMs 125871 Specdb::MsMs 125872 Specdb::MsMs 125873 Specdb::MsMs 2304582 Specdb::MsMs 2304583 Specdb::MsMs 2304584 Specdb::MsMs 3061784 Specdb::MsMs 3061785 Specdb::MsMs 3061786 Specdb::NmrOneD 19182 Specdb::NmrOneD 19183 Specdb::NmrOneD 19184 Specdb::NmrOneD 19185 Specdb::NmrOneD 19186 Specdb::NmrOneD 19187 Specdb::NmrOneD 19188 Specdb::NmrOneD 19189 Specdb::NmrOneD 19190 Specdb::NmrOneD 19191 Specdb::NmrOneD 19192 Specdb::NmrOneD 19193 Specdb::NmrOneD 19194 Specdb::NmrOneD 19195 Specdb::NmrOneD 19196 Specdb::NmrOneD 19197 Specdb::NmrOneD 19198 Specdb::NmrOneD 19199 Specdb::NmrOneD 19200 Specdb::NmrOneD 19201 HMDB31540 #<Reference:0x000055ce322b91d8> #<Reference:0x000055ce322b8fa8> #<Reference:0x000055ce322b8df0> #<Reference:0x000055ce322b8b98> #<Reference:0x000055ce322b8940> #<Reference:0x000055ce322b86e8> #<Reference:0x000055ce322b8508> #<Reference:0x000055ce322b8260> #<Reference:0x000055ce322b8030> #<Reference:0x000055ce322bb528> #<Reference:0x000055ce322b3e90> #<Reference:0x000055ce322b3c60> #<Reference:0x000055ce322b3aa8> animal musty