1.0 2010-04-08 22:07:58 UTC 2020-09-17 15:35:03 UTC FDB008188 2-Methyl-1-phenyl-2-propanyl acetate Dimethylbenzylcarbinyl acetate belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. Dimethylbenzylcarbinyl acetate appears as a white to pale yellow crystalline solid. It is a sweet, berry, and floral tasting compound and it is used as a flavouring agent. It also has a floral, jasmine and rose-like odour and it is used in perfumery. α,α-Dimethylphenethyl acetate α,α-Dimethylphenethyl alcohol, acetate 1,1-Dimethyl-2-phenylethyl acetate 2-Benzyl-2-propyl acetate alpha, alpha-Dimethylphenethyl alcohol, acetate alpha,alpha-Dimethylbenzeneethyl acetate alpha,alpha-Dimethylphenethyl acetate alpha,alpha-Dimethylphenethyl alcohol, acetate Benzeneethanol, α,α-dimethyl-, acetate Benzeneethanol, alpha,alpha-dimethyl-, 1-acetate Benzeneethanol, alpha,alpha-dimethyl-, acetate Benzyl dimethyl carbinyl acetate Benzyldimethyl carbinyl acetate Benzyldimethylcarbinol acetate Benzyldimethylcarbinyl acetate Benzylpropyl acetate Dimethyl benzyl carbinyl acetate Dimethylbenzyl carbinol acetate Dimethylbenzylcarbinol acetate Dimethylbenzylcarbinyl acetate Dmbca FEMA 2392 Phenethyl alcohol, α,α-dimethyl-, acetate Phenethyl alcohol, alpha,alpha-dimethyl-, acetate C12H16O2 192.2542 192.115029756 2-methyl-1-phenylpropan-2-yl acetate 2-methyl-1-phenylpropan-2-yl acetate 151-05-3 CC(=O)OC(C)(C)CC1=CC=CC=C1 InChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3 FLUWAIIVLCVEKF-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. Phenylpropanes Organic compounds Benzenoids Benzene and substituted derivatives Phenylpropanes Aromatic homomonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenylpropane logp 3.40 ALOGPS logs -3.72 ALOGPS solubility 3.64e-02 g/l ALOGPS melting_point Mp 30° logp 2.63 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-methyl-1-phenylpropan-2-yl acetate ChemAxon average_mass 192.2542 ChemAxon mono_mass 192.115029756 ChemAxon smiles CC(=O)OC(C)(C)CC1=CC=CC=C1 ChemAxon formula C12H16O2 ChemAxon inchi InChI=1S/C12H16O2/c1-10(13)14-12(2,3)9-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3 ChemAxon inchikey FLUWAIIVLCVEKF-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 55.84 ChemAxon polarizability 21.63 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4657 Specdb::MsIr 4658 Specdb::MsMs 96522 Specdb::MsMs 96523 Specdb::MsMs 96524 Specdb::MsMs 161013 Specdb::MsMs 161014 Specdb::MsMs 161015 Specdb::MsMs 2792105 Specdb::MsMs 2792106 Specdb::MsMs 2792107 Specdb::MsMs 2917181 Specdb::MsMs 2917182 Specdb::MsMs 2917183 Specdb::CMs 20027 Specdb::CMs 29151 Specdb::CMs 100872 Specdb::CMs 131587 Specdb::CMs 139321 HMDB31571 #<Reference:0x000055ce322d2598> berry floral fruity green jasmin pear powdery rose sweet