1.0 2010-04-08 22:14:41 UTC 2015-07-21 06:40:34 UTC FDB019940 2-Methyl-1-phenyl-2-propanyl butyrate Flavouring agent &alpha;,&alpha;-Dimethylphenethyl alcohol, butyrate &alpha;,&alpha;-Dimethylphenethyl butyrate 1,1-Dimethyl-2-phenylethyl butanoate 1,1-Dimethyl-2-phenylethyl butyrate 2-Benzyl-2-propyl butyrate alpha,alpha-Dimethylphenethyl alcohol, butyrate alpha,alpha-dimethylphenethyl butyrate Benzyl dimethyl carbinyl butyrate Benzyl dimethylcarbinyl butyrate Benzyl dimethylcarbinyl n-butyrate Butanoic acid, 1,1-dimethyl-2-phenylethyl ester Butyric acid, &alpha;,&alpha;-dimethylphenethyl ester Butyric acid, alpha,alpha-dimethylphenethyl ester Dimethyl benzyl carbinyl butyrate Dimethyl benzyl carbinyl n-butyrate Dimethylbenzylcarbinyl butyrate DMBC butyrate FEMA 2394 C14H20O2 220.3074 220.146329884 2-methyl-1-phenylpropan-2-yl butanoate 2-methyl-1-phenylpropan-2-yl butanoate 10094-34-5 CCCC(=O)OC(C)(C)CC1=CC=CC=C1 InChI=1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3 SHSGYHAHMQLYRB-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 Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenylpropane logp 4.23 ALOGPS logs -4.27 ALOGPS solubility 1.19e-02 g/l ALOGPS logp 3.78 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-methyl-1-phenylpropan-2-yl butanoate ChemAxon average_mass 220.3074 ChemAxon mono_mass 220.146329884 ChemAxon smiles CCCC(=O)OC(C)(C)CC1=CC=CC=C1 ChemAxon formula C14H20O2 ChemAxon inchi InChI=1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3 ChemAxon inchikey SHSGYHAHMQLYRB-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 65.07 ChemAxon polarizability 25.53 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21199 Specdb::CMs 28546 Specdb::CMs 102085 Specdb::CMs 170158 Specdb::MsMs 57288 Specdb::MsMs 57289 Specdb::MsMs 57290 Specdb::MsMs 112926 Specdb::MsMs 112927 Specdb::MsMs 112928 Specdb::MsMs 2349712 Specdb::MsMs 2349713 Specdb::MsMs 2349714 Specdb::MsMs 2589049 Specdb::MsMs 2589050 Specdb::MsMs 2589051 HMDB40226 #<Reference:0x000055ce32639588> floral fruity green herbal plum prune