1.02010-04-08 22:10:11 UTC2020-09-17 15:35:45 UTCFDB0124562-HydroxybenzaldehydeSalicyladehyde or 2-Hydroxybenzaldehyde, also known as salicylal or o-formylphenol, 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. Salicylaldehyde is a colorless oily liquid. At high concentrations it has a bitter almond odor. In nature, salicylaldehyde has been identified as the metabolite responsible for the characteristic aroma of buckwheat (PMID: 26003350). It is also a component of castoreum, used in perfumery (PMID: 24249178). The defensive secretions of some leaf beatle species, such as the red poplar leaf beetle, also contain salicylaldehyde (PMID: 27033853).2-FormylphenolFEMA 3004O-formylphenolO-hydroxybenzaldehydeSalicylalSalicylaldehydSalicylaldehydeSalicylaldehyde, 8CISalicylic aldehydeSalizylaldehydC7H6O2122.1213122.0367794362-hydroxybenzaldehydesalicylaldehyde90-02-8OC1=CC=CC=C1C=OInChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9HSMQUZDBALVYZAC-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.HydroxybenzaldehydesOrganic compoundsOrganic oxygen compoundsOrganooxygen compoundsCarbonyl compoundsAromatic homomonocyclic compounds1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsBenzoyl derivativesHydrocarbon derivativesOrganic oxidesVinylogous acids1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidAromatic homomonocyclic compoundBenzenoidBenzoylHydrocarbon derivativeHydroxybenzaldehydeMonocyclic benzene moietyOrganic oxidePhenolVinylogous acida small moleculehydroxybenzaldehydeLiquidlogp1.22logs-1.07solubility1.03e+01 g/lmelting_pointFp 0.7°logp2.03pka_strongest_acidic8.4pka_strongest_basic-6iupac2-hydroxybenzaldehydeaverage_mass122.1213mono_mass122.036779436smilesOC1=CC=CC=C1C=OformulaC7H6O2inchiInChI=1S/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9HinchikeySMQUZDBALVYZAC-UHFFFAOYSA-Npolar_surface_area37.3refractivity34.62polarizability11.89rotatable_bond_count1acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::EiMs1181Specdb::MsIr6452Specdb::MsIr6453Specdb::MsIr6454Specdb::CMs2703Specdb::CMs27729Specdb::CMs27954Specdb::CMs29340Specdb::CMs32199Specdb::CMs43741Specdb::CMs101546Specdb::CMs101547Specdb::CMs101548Specdb::CMs101549Specdb::CMs132267Specdb::CMs140001Specdb::NmrOneD3379Specdb::NmrOneD5123Specdb::NmrOneD5124Specdb::NmrOneD124658Specdb::NmrOneD124659Specdb::NmrOneD124660Specdb::NmrOneD124661Specdb::NmrOneD124662Specdb::NmrOneD124663Specdb::NmrOneD124664Specdb::NmrOneD124665Specdb::NmrOneD124666Specdb::NmrOneD124667Specdb::NmrOneD124668Specdb::NmrOneD124669Specdb::NmrOneD124670Specdb::NmrOneD124671Specdb::NmrOneD124672Specdb::NmrOneD124673Specdb::NmrOneD124674Specdb::NmrOneD124675Specdb::NmrOneD124676Specdb::NmrOneD124677Specdb::MsMs44451Specdb::MsMs44452Specdb::MsMs44453Specdb::MsMs147954Specdb::MsMs147955Specdb::MsMs147956Specdb::MsMs1471153Specdb::MsMs1471178Specdb::MsMs1476327Specdb::MsMs1476328Specdb::MsMs1476329Specdb::MsMs1476330Specdb::MsMs1476331Specdb::MsMs1476332Specdb::MsMs1476333Specdb::MsMs2255881Specdb::MsMs2370056Specdb::MsMs2370057Specdb::MsMs2370058Specdb::MsMs2569427Specdb::MsMs2569428Specdb::MsMs2569429HMDB3417016008NK#<Reference:0x00005556760791b8>Black teaType 1Common buckwheatType 1specificFagopyrum esculentum3617Garden tomato (var.)Type 1specificSolanum lycopersicum var. lycopersicum397755Green teaType 1Herbal teaType 1Herbs and SpicesUnknowngenericPeppermintType 1specificMentha X piperita342560.001650.001650.00165mg/100 gRed teaType 1TeaType 1specificCamellia sinensis4442cinnamoncoolingmedicalspicywintergreenallelochemic41flavor936A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.perfumery1206A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.sprout inhibitor1326A substance that diminishes the rate of a chemical reaction.