1.0 2010-04-08 22:09:44 UTC 2025-11-18 23:29:47 UTC FDB011631 3-Methyl-2-phenylbutanal It is used as a food additive . 3-Methyl-2-phenylbutyraldehyde a-(1-Methylethyl)benzeneacetaldehyde, 9CI alpha-(1-Methylethyl)benzeneacetaldehyde Alpha-isopropylphenylacetaldehyde Alpha-phenylisopentanal Alpha-phenylisovaleraldehyde Benzeneacetaldehyde, alpha-(1-methylethyl)- Butraldehyde, 3-methyl-2-phenyl- FEMA 2738 C11H14O 162.2283 162.10446507 3-methyl-2-phenylbutanal 3-methyl-2-phenylbutanal 2439-44-3 CC(C)C(C=O)C1=CC=CC=C1 InChI=1S/C11H14O/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-9,11H,1-2H3 UKEXEDXJYSMZGZ-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylacetaldehydes. Phenylacetaldehydes are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde. Phenylacetaldehydes Organic compounds Benzenoids Benzene and substituted derivatives Phenylacetaldehydes Aromatic homomonocyclic compounds Aldehydes Hydrocarbon derivatives Organic oxides Phenylpropanes Aldehyde Aromatic homomonocyclic compound Carbonyl group Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Phenylacetaldehyde Phenylpropane logp 2.90 ALOGPS logs -3.10 ALOGPS solubility 1.30e-01 g/l ALOGPS logp 2.73 ChemAxon pka_strongest_acidic 16.67 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 3-methyl-2-phenylbutanal ChemAxon average_mass 162.2283 ChemAxon mono_mass 162.10446507 ChemAxon smiles CC(C)C(C=O)C1=CC=CC=C1 ChemAxon formula C11H14O ChemAxon inchi InChI=1S/C11H14O/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-9,11H,1-2H3 ChemAxon inchikey UKEXEDXJYSMZGZ-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 50.16 ChemAxon polarizability 18.61 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17157 Specdb::CMs 152330 Specdb::MsIr 6154 Specdb::MsIr 6155 Specdb::MsMs 63429 Specdb::MsMs 63430 Specdb::MsMs 63431 Specdb::MsMs 120384 Specdb::MsMs 120385 Specdb::MsMs 120386 Specdb::MsMs 2387213 Specdb::MsMs 2387214 Specdb::MsMs 2387215 Specdb::MsMs 2577963 Specdb::MsMs 2577964 Specdb::MsMs 2577965 HMDB0033562 bitter fruity green