1.0 2010-04-08 22:09:11 UTC 2019-11-26 03:03:47 UTC FDB010555 Piperonyl acetate Piperonyl acetate is a flavouring agent. It is found in green vegetables such as endive (Cichorium endiva) (3,4-Methylenedioxy)benzyl acetate 1,3-benzodioxol-5-ylmethyl acetate 1,3-Benzodioxol, 5-(acetoxymethyl) 1,3-Benzodioxole-5-methanol, 5-acetate 1,3-Benzodioxole-5-methanol, acetate 3,4-Methylenedioxybenzyl acetate Acetic acid, (3, 4-methylenedioxy)benzyl ester Acetic acid, (3,4-methylenedioxy)benzyl ester FEMA 2912 Heliotropin acetate Heliotropyl acetate Methyl 1,3-benzodioxol-5-ylacetate Piperonal acetate Piperonyl acetate Piperonyl alcohol, acetate Piperonyl alcohol, acetate (6CI,7CI,8CI) Piperonylacetate C10H10O4 194.184 194.057908808 2H-1,3-benzodioxol-5-ylmethyl acetate piperonyl acetate 326-61-4 CC(=O)OCC1=CC2=C(OCO2)C=C1 InChI=1S/C10H10O4/c1-7(11)12-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3 PFWYHTORQZAGCA-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 Benzenoids Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Acetal Aromatic heteropolycyclic compound Benzenoid Benzodioxole Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxacycle logp 1.40 ALOGPS logs -1.95 ALOGPS solubility 2.17e+00 g/l ALOGPS melting_point Mp 51° logp 1.27 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac 2H-1,3-benzodioxol-5-ylmethyl acetate ChemAxon average_mass 194.184 ChemAxon mono_mass 194.057908808 ChemAxon smiles CC(=O)OCC1=CC2=C(OCO2)C=C1 ChemAxon formula C10H10O4 ChemAxon inchi InChI=1S/C10H10O4/c1-7(11)12-5-8-2-3-9-10(4-8)14-6-13-9/h2-4H,5-6H2,1H3 ChemAxon inchikey PFWYHTORQZAGCA-UHFFFAOYSA-N ChemAxon polar_surface_area 44.76 ChemAxon refractivity 47.79 ChemAxon polarizability 19.26 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5631 Specdb::MsIr 5632 Specdb::CMs 25199 Specdb::CMs 28276 Specdb::CMs 101212 Specdb::CMs 173983 Specdb::NmrOneD 114278 Specdb::NmrOneD 114279 Specdb::NmrOneD 114280 Specdb::NmrOneD 114281 Specdb::NmrOneD 114282 Specdb::NmrOneD 114283 Specdb::NmrOneD 114284 Specdb::NmrOneD 114285 Specdb::NmrOneD 114286 Specdb::NmrOneD 114287 Specdb::NmrOneD 114288 Specdb::NmrOneD 114289 Specdb::NmrOneD 114290 Specdb::NmrOneD 114291 Specdb::NmrOneD 114292 Specdb::NmrOneD 114293 Specdb::NmrOneD 114294 Specdb::NmrOneD 114295 Specdb::NmrOneD 114296 Specdb::NmrOneD 114297 Specdb::MsMs 100011 Specdb::MsMs 100012 Specdb::MsMs 100013 Specdb::MsMs 165243 Specdb::MsMs 165244 Specdb::MsMs 165245 Specdb::MsMs 2419809 Specdb::MsMs 2419810 Specdb::MsMs 2419811 Specdb::MsMs 2543276 Specdb::MsMs 2543277 Specdb::MsMs 2543278 HMDB32614 #<Reference:0x000055ce306542b8> Green vegetables Unknown generic bitter floral hawthorn jam metallic strawberry sweet