1.0 2010-04-08 22:04:59 UTC 2025-11-18 22:31:37 UTC FDB001486 Eutypine Eutypine is a member of the class of compounds known as hydroxybenzaldehydes. Hydroxybenzaldehydes are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group. Eutypine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Eutypine can be found in common grape, which makes eutypine a potential biomarker for the consumption of this food product. 4-Hydroxy-3-(3-methyl-3-butene-1-ynyl)benzaldehyde C12H10O2 186.2066 186.068079564 4-hydroxy-3-(3-methylbut-3-en-1-yn-1-yl)benzaldehyde eutypine 121007-17-8 CC(=C)C#CC1=CC(C=O)=CC=C1O InChI=1S/C12H10O2/c1-9(2)3-5-11-7-10(8-13)4-6-12(11)14/h4,6-8,14H,1H2,2H3 SFCYVTIQMNZUCZ-UHFFFAOYSA-N belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group. Hydroxybenzaldehydes Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Benzoyl derivatives Hydrocarbon derivatives Organic oxides 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Benzoyl Hydrocarbon derivative Hydroxybenzaldehyde Monocyclic benzene moiety Organic oxide Phenol benzaldehydes logp 2.43 ALOGPS logs -3.41 ALOGPS solubility 7.22e-02 g/l ALOGPS logp 2.75 ChemAxon pka_strongest_acidic 6.79 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 4-hydroxy-3-(3-methylbut-3-en-1-yn-1-yl)benzaldehyde ChemAxon average_mass 186.2066 ChemAxon mono_mass 186.068079564 ChemAxon smiles CC(=C)C#CC1=CC(C=O)=CC=C1O ChemAxon formula C12H10O2 ChemAxon inchi InChI=1S/C12H10O2/c1-9(2)3-5-11-7-10(8-13)4-6-12(11)14/h4,6-8,14H,1H2,2H3 ChemAxon inchikey SFCYVTIQMNZUCZ-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 54.22 ChemAxon polarizability 20.27 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 2299 Specdb::CMs 1086130 Specdb::NmrOneD 261708 Specdb::NmrOneD 261709 Specdb::NmrOneD 261710 Specdb::NmrOneD 261711 Specdb::NmrOneD 261712 Specdb::NmrOneD 261713 Specdb::NmrOneD 261714 Specdb::NmrOneD 261715 Specdb::NmrOneD 261716 Specdb::NmrOneD 261717 Specdb::NmrOneD 261718 Specdb::NmrOneD 261719 Specdb::NmrOneD 261720 Specdb::NmrOneD 261721 Specdb::NmrOneD 261722 Specdb::NmrOneD 261723 Specdb::NmrOneD 261724 Specdb::NmrOneD 261725 Specdb::NmrOneD 261726 Specdb::NmrOneD 261727 Specdb::MsMs 82470 Specdb::MsMs 82471 Specdb::MsMs 82472 Specdb::MsMs 143847 Specdb::MsMs 143848 Specdb::MsMs 143849 Specdb::MsMs 3597511 Specdb::MsMs 3597512 Specdb::MsMs 3597513 Specdb::MsMs 3597514 Specdb::MsMs 3597515 Specdb::MsMs 3597516 Common grape Type 1 specific Vitis vinifera 29760