1.0 2010-04-08 22:08:04 UTC 2025-11-18 23:09:58 UTC FDB008397 3-Methyl-1-phenyl-3-pentanol It is used as a food additive . a-Ethyl-a-methylbenzenepropanol Benzenepropanol, α-ethyl-α-methyl- Ethylmethylphenethylcarbinol FEMA 2883 C12H18O 178.2707 178.135765198 3-methyl-1-phenylpentan-3-ol 3-methyl-1-phenylpentan-3-ol 10415-87-9 CCC(C)(O)CCC1=CC=CC=C1 InChI=1S/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3 AEJRTNBCFUOSEM-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzene and substituted derivatives Organic compounds Benzenoids Benzene and substituted derivatives Aromatic homomonocyclic compounds Hydrocarbon derivatives Tertiary alcohols Alcohol Aromatic homomonocyclic compound Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound Tertiary alcohol logp 3.45 ALOGPS logs -2.89 ALOGPS solubility 2.32e-01 g/l ALOGPS logp 3.16 ChemAxon pka_strongest_acidic 15.06 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3-methyl-1-phenylpentan-3-ol ChemAxon average_mass 178.2707 ChemAxon mono_mass 178.135765198 ChemAxon smiles CCC(C)(O)CCC1=CC=CC=C1 ChemAxon formula C12H18O ChemAxon inchi InChI=1S/C12H18O/c1-3-12(2,13)10-9-11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3 ChemAxon inchikey AEJRTNBCFUOSEM-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 55.81 ChemAxon polarizability 21.63 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15032 Specdb::CMs 28413 Specdb::CMs 42600 Specdb::CMs 100939 Specdb::CMs 135018 Specdb::CMs 142752 Specdb::MsIr 4891 Specdb::MsIr 4892 Specdb::MsIr 4893 Specdb::MsMs 100800 Specdb::MsMs 100801 Specdb::MsMs 100802 Specdb::MsMs 166245 Specdb::MsMs 166246 Specdb::MsMs 166247 Specdb::MsMs 2844338 Specdb::MsMs 2844339 Specdb::MsMs 2844340 Specdb::MsMs 2861737 Specdb::MsMs 2861738 Specdb::MsMs 2861739 HMDB0031731 anisic cayloxol earthy fresh lilac narcissus peony sweet