1.0 2010-04-08 22:11:06 UTC 2019-11-26 03:09:33 UTC FDB014131 5-Isopropyl-2-methylphenol acetate Found in various essential oils 5-Isopropyl-2-methylphenol acetate C12H16O2 192.2542 192.115029756 2-methyl-5-(propan-2-yl)phenyl acetate 5-isopropyl-2-methylphenyl acetate 6380-28-5 CC(C)C1=CC(OC(C)=O)=C(C)C=C1 InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-8H,1-4H3 OXZSUQJHKQOGOK-UHFFFAOYSA-N belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic ring. Aromatic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aromatic homomonocyclic compounds Carbonyl compounds Carboxylic acid esters Cumenes Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Phenol esters Phenoxy compounds Phenylpropanes Toluenes Aromatic homomonocyclic compound Aromatic monoterpenoid Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cumene Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-cymene Phenol ester Phenoxy compound Phenylpropane Toluene logp 3.63 ALOGPS logs -3.82 ALOGPS solubility 2.88e-02 g/l ALOGPS logp 3.34 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 2-methyl-5-(propan-2-yl)phenyl acetate ChemAxon average_mass 192.2542 ChemAxon mono_mass 192.115029756 ChemAxon smiles CC(C)C1=CC(OC(C)=O)=C(C)C=C1 ChemAxon formula C12H16O2 ChemAxon inchi InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5-8H,1-4H3 ChemAxon inchikey OXZSUQJHKQOGOK-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 56.42 ChemAxon polarizability 21.82 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6932 Specdb::MsIr 6933 Specdb::CMs 9319 Specdb::CMs 170453 Specdb::MsMs 104034 Specdb::MsMs 104035 Specdb::MsMs 104036 Specdb::MsMs 170217 Specdb::MsMs 170218 Specdb::MsMs 170219 Specdb::MsMs 2407496 Specdb::MsMs 2407497 Specdb::MsMs 2407498 Specdb::MsMs 2531166 Specdb::MsMs 2531167 Specdb::MsMs 2531168 HMDB35447 #<Reference:0x000055ce332089b8> Fats and oils Unknown generic