1.0 2010-04-08 22:07:47 UTC 2025-11-18 23:05:38 UTC FDB007828 trans-[6]-Shogaol Trans-[6]-shogaol is a member of the class of 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. Trans-[6]-shogaol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Trans-[6]-shogaol can be found in ginger, which makes trans-[6]-shogaol a potential biomarker for the consumption of this food product. (methoxymethoxy)(phenyl)acetaldehyde trans-6-Shogaol C10H12O3 180.2005 180.07864425 2-(methoxymethoxy)-2-phenylacetaldehyde 2-(methoxymethoxy)-2-phenylacetaldehyde 555-66-8 COCOC(C=O)C1=CC=CC=C1 InChI=1S/C10H12O3/c1-12-8-13-10(7-11)9-5-3-2-4-6-9/h2-7,10H,8H2,1H3 YHRYIGKHZVPXAD-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 Acetals Aldehydes Hydrocarbon derivatives Organic oxides Acetal Aldehyde Aromatic homomonocyclic compound Carbonyl group Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Phenylacetaldehyde logp 1.28 ALOGPS logs -1.91 ALOGPS solubility 2.20e+00 g/l ALOGPS logp 1.44 ChemAxon pka_strongest_acidic 15.63 ChemAxon pka_strongest_basic -4 ChemAxon iupac 2-(methoxymethoxy)-2-phenylacetaldehyde ChemAxon average_mass 180.2005 ChemAxon mono_mass 180.07864425 ChemAxon smiles COCOC(C=O)C1=CC=CC=C1 ChemAxon formula C10H12O3 ChemAxon inchi InChI=1S/C10H12O3/c1-12-8-13-10(7-11)9-5-3-2-4-6-9/h2-7,10H,8H2,1H3 ChemAxon inchikey YHRYIGKHZVPXAD-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 48.38 ChemAxon polarizability 18.77 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 44088 Specdb::MsMs 44089 Specdb::MsMs 44090 Specdb::MsMs 117336 Specdb::MsMs 117337 Specdb::MsMs 117338 Specdb::MsMs 3604424 Specdb::MsMs 3604425 Specdb::MsMs 3604426 Specdb::MsMs 3604427 Specdb::MsMs 3604428 Specdb::MsMs 3604429 Ginger Type 1 specific Zingiber officinale 94328