1.0 2010-04-08 22:09:11 UTC 2020-09-17 15:35:41 UTC FDB010553 3,4-Methylenedioxybenzaldehyde Piperonal or 3,4-Methylenedioxybenzaldehyde, also known as heliotropin or piperonyl aldehyde, belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. Piperonal is an organic compound which is commonly found in fragrances and flavors. Piperonal occurs naturally in various plants including dill, vanilla, violet flowers, and black pepper. Piperonal has been detected, but not quantified, in several different foods, such as highbush blueberries, pepper (spice), rabbiteye blueberries, and vanilla. Piperonal has a floral odor which is commonly described as being similar to that of vanillin or cherry. For this reason, it is commonly used in fragrances and artificial flavors (https://doi.org/10.1002/14356007.a11_141). 1,3-Benzodioxole-5-carbaldehyde 1,3-Benzodioxole-5-carboxaldehyde 1,3-Benzodioxole-5-carboxaldehyde, 9CI 3, 4-(Methylenedioxy)benzaldehyde 3, 4-Bis(methylenedioxy)benzaldehyde 3,4-(Methylenedioxy)-benzaldehyde 3,4-(Methylenedioxy)benzaldehyde 3,4-Bis(methylenedioxy)benzaldehyde 3,4-Dihydroxybenzaldehyde methylene ketal 3,4-Dimethylenedioxybenzaldehyde 3,4-METHYLEN-DIOXY-BENZALDEHYDE 3,4-Methylene-dihydroxybenzaldehyde 5-Formyl-1,3-benzodioxole Benzaldehyde, 3,4-(methylenedioxy)- Blue p Dioxymethylene protocatechuic aldehyde Dioxymethylene-protocatechuic aldehyde FEMA 2911 Geliotropin Heliotropin Heliotropine Heliotropine (piperonal) Piperanal Piperonal Piperonal, 8CI Piperonaldehyde Piperonyl aldehyde Piperonylaldehyde Protocatechuic aldehyde methylene ether C8H6O3 150.1314 150.031694058 2H-1,3-benzodioxole-5-carbaldehyde piperonal 120-57-0 [H]C(=O)C1=CC2=C(OCO2)C=C1 InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2 SATCULPHIDQDRE-UHFFFAOYSA-N belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms. Benzodioxoles Organic compounds Organoheterocyclic compounds Benzodioxoles Aromatic heteropolycyclic compounds Acetals Aryl-aldehydes Benzenoids Hydrocarbon derivatives Organic oxides Oxacyclic compounds Acetal Aldehyde Aromatic heteropolycyclic compound Aryl-aldehyde Benzenoid Benzodioxole Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle arenecarbaldehyde benzodioxoles logp 0.79 ALOGPS logs -1.26 ALOGPS solubility 8.28e+00 g/l ALOGPS melting_point Mp 37° logp 1.31 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 2H-1,3-benzodioxole-5-carbaldehyde ChemAxon average_mass 150.1314 ChemAxon mono_mass 150.031694058 ChemAxon smiles [H]C(=O)C1=CC2=C(OCO2)C=C1 ChemAxon formula C8H6O3 ChemAxon inchi InChI=1S/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H2 ChemAxon inchikey SATCULPHIDQDRE-UHFFFAOYSA-N ChemAxon polar_surface_area 35.53 ChemAxon refractivity 38.41 ChemAxon polarizability 14.25 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2358 Specdb::CMs 28082 Specdb::CMs 28124 Specdb::CMs 28804 Specdb::CMs 29249 Specdb::CMs 29804 Specdb::CMs 101203 Specdb::CMs 101204 Specdb::CMs 101205 Specdb::CMs 101206 Specdb::CMs 101207 Specdb::CMs 133799 Specdb::CMs 141533 Specdb::MsIr 5626 Specdb::MsIr 5627 Specdb::NmrOneD 114238 Specdb::NmrOneD 114239 Specdb::NmrOneD 114240 Specdb::NmrOneD 114241 Specdb::NmrOneD 114242 Specdb::NmrOneD 114243 Specdb::NmrOneD 114244 Specdb::NmrOneD 114245 Specdb::NmrOneD 114246 Specdb::NmrOneD 114247 Specdb::NmrOneD 114248 Specdb::NmrOneD 114249 Specdb::NmrOneD 114250 Specdb::NmrOneD 114251 Specdb::NmrOneD 114252 Specdb::NmrOneD 114253 Specdb::NmrOneD 114254 Specdb::NmrOneD 114255 Specdb::NmrOneD 114256 Specdb::NmrOneD 114257 Specdb::MsMs 177987 Specdb::MsMs 177988 Specdb::MsMs 177989 Specdb::MsMs 180300 Specdb::MsMs 180301 Specdb::MsMs 180302 Specdb::MsMs 1477919 Specdb::MsMs 1477920 Specdb::MsMs 1477921 Specdb::MsMs 1477922 Specdb::MsMs 1477923 Specdb::MsMs 1477924 Specdb::MsMs 1477925 Specdb::MsMs 1477926 Specdb::MsMs 1477927 Specdb::MsMs 1477928 Specdb::MsMs 1477929 Specdb::MsMs 1477930 Specdb::MsMs 1477931 Specdb::MsMs 1477932 Specdb::MsMs 1477933 Specdb::MsMs 1477934 Specdb::MsMs 1477935 Specdb::MsMs 1477936 Specdb::MsMs 1477937 HMDB32612 8240 #<Reference:0x000055ce332772f0> Highbush blueberry Type 1 specific Vaccinium corymbosum 69266 Pepper (Spice) Type 1 specific Piper nigrum 13216 Rabbiteye blueberry Type 1 specific Vaccinium virgatum Vanilla Type 1 specific Vanilla 51238 bitter coconut flower heliotrope powdery sweet vanilla violet Cancer preventive 754 A substance that inhibits or prevents the proliferation of neoplasms. Pediculicide 1202 Substance used to treat lice (genus Pediculus) infestation.