Compound: PIPERONAL
SMILES: O=Cc1cc2OCOc2cc1
InChIKey: SATCULPHIDQDRE-UHFFFAOYSA-N
Synonyms: PIPERONAL, 120-57-0, Heliotropin, Heliotropine, Piperonyl aldehyde, Piperonaldehyde, 1,3-Benzodioxole-5-carbaldehyde, Piperonylaldehyde, 3,4-Methylenedioxybenzaldehyde, Geliotropin, 1,3-Benzodioxole-5-carboxaldehyde, 3,4-(Methylenedioxy)benzaldehyde, 5-Formyl-1,3-benzodioxole, Protocatechuic aldehyde methylene ether, 3,4-Dihydroxybenzaldehyde methylene ketal, 3,4-Dimethylenedioxybenzaldehyde, FEMA No. 2911, 2H-1,3-Benzodioxole-5-Carbaldehyde, Dioxymethylene protocatechuic aldehyde, Benzaldehyde, 3,4-(methylenedioxy)-, KE109YAK00, DTXSID7025924, NSC-26826, CHEBI:8240, DTXCID505924, DIOXYMETHYLENEPROTOCATECHUIC ALDEHYDE, heliotrin, RefChem:46197, 204-409-7, 3,4-Bis(methylenedioxy)benzaldehyde, Dioxymethylene-protocatechuic aldehyde, Benzo[D][1,3]Dioxole-5-Carbaldehyde, 3,4-Methylene-dihydroxybenzaldehyde, NSC 26826, 3,4-methylenedioxy-benzaldehyde, 3,4-METHYLEN-DIOXY-BENZALDEHYDE, benzo[1,3]dioxole-5-carbaldehyde, Heliotropin (natural), 2H-benzo[d]1,3-dioxolane-5-carbaldehyde, CCRIS 5928, HSDB 581, EINECS 204-409-7, UNII-KE109YAK00, Piperonale, Piperanal, AI3-01198, Blue P, Piperonal, 8CI, Piperonal, 99%, PIPERONAL [FCC], Heliotropine (piperonal), PIPERONAL [MI], PIPERONAL [FHFI], PIPERONAL [HSDB], PIPERONAL [MART.], 4-methylenedioxybenzaldehyde, EC 204-409-7, PIPERONAL [WHO-DD], Piperonal DRUG PRECURSOR, SCHEMBL29318, SCHEMBL97197, 30024-74-9, Piperonal, analytical standard, 3,4-Methylendioxy-benzaldehyde, Piperonal crystals (Synthetic), CHEMBL271663, 3,4 -methylenedioxybenzaldehyde, 3,4-methylene-dioxybenzaldehyde, 3,4-methylenedioxy benzaldehyde, 1,3-benzodioxol-5-carbaldehyde, Piperonal, natural, 98%, FG, SCHEMBL29411164, FEMA 2911, Benzaldehyde,4-(methylenedioxy)-, benzo[1,3]dioxol-5-carbaldehyde, 3,4-(methylenedioxy)-benzaldehyde, BDBM153298, benzo-1,3-dioxole-5-carbaldehyde, Piperonal, >=99%, FCC, FG, WLN: T56 BO DO CHJ GVH, 3, 4-(Methylenedioxy)benzaldehyde, NSC26826, 1,3-Benzodioxole-5-carbaldehyde #, benzo[1,3]dioxole-5-carboxaldehyde, Tox21_200120, BBL007668, MFCD00005828, SBB007752, STK188426, 3, 4-Bis(methylenedioxy)benzaldehyde, AKOS002662846, FP44782, NCGC00091137-01, NCGC00091137-02, NCGC00257674-01, 1,3-Benzodioxole-5-carboxaldehyde, 9CI, AC-11587, benzo[d]-1,3-dioxolane-5-carboxaldehyde, CAS-120-57-0, 1,3-BENZODIOXOLE-6-CARBOXALDEHYDE, 3,4-Methylenedioxybenzaldehyde (Piperonal), DB-021956, NS00001813, P0456, ST45167855, Q418985, PIPERONAL (CONSTITUENT OF BLACK PEPPER) [DSC], 2H-BENZO(3,4-D)-1,3-DIOXOLAN-5-YLFORMALDEHYDE, InChI=1/C8H6O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-4H,5H, 5XC
Theoretical properties:
molecular_formula: C8H6O3
molecular_weight: 150.13 g/mol
exact_mass: 150.031694049 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 11
topological_polar_surface_area: 35.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless, lustrous crystals
color: Colorless, lustrous crystals
odor: Heliotrope odor
boiling_point: 505 °F at 760 mmHg (NTP, 1992)
melting_point: 99 °F (NTP, 1992)
solubility: Slightly soluble (NTP, 1992)
vapor_pressure: 1 mmHg at 189 °F (NTP, 1992)
Descriptions:
pubchem: Piperonal is an arenecarbaldehyde that is 1,3-benzodioxole substituted by a formyl substituent at position 5. It has been isolated from Piper nigrum. It has a role as a fragrance, an insect repellent and a plant metabolite. It is an arenecarbaldehyde and a member of benzodioxoles.
chebi: An arenecarbaldehyde that is 1,3-benzodioxole substituted by a formyl substituent at position 5. It has been isolated from <em>Piper nigrum</em>.
chembl: PIPERONAL is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Piperonal, also known as heliotropin, is an organic compound which is commonly found in fragrances and flavors. The molecule is structurally related to other aromatic aldehydes such as benzaldehyde and vanillin.  The methylenedioxyphenyl group is found in other fragrances.