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· · COA & SDS available for every product · Same-day shipping on in-stock items Piperonylic Acid - ≥98% , CAS No.94-53-1
Synonyms
P0459 | KBioSS_001644 | Spectrum3_001022 | 1,3-benzodioxole-5-carbonsäure | Benzo[d][I,3]dioxole-5-carboxylic acid | STK397540 | AKOS000113163 | DTXSID6059104 | InChI=1/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10) | 1,3-Benzodioxole-5-carboxy
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview Product Application：
Piperonylic acid is used as pharmaceutical intermediate.
Specifications Synonyms
P0459 | KBioSS_001644 | Spectrum3_001022 | 1, 3-benzodioxole-5-carbonsäure | Benzo[d][I, 3]dioxole-5-carboxylic acid | STK397540 | AKOS000113163 | DTXSID6059104 | InChI=1/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H, 4H2, (H, 9, 10) | 1, 3-Benzodioxole-5-carboxy
Specifications & Purity
≥98%
Names and Identifiers Pubchem Sid 488180330 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488180330 Canonical Smiles C1OC2=C(O1)C=C(C=C2)C(=O)O IUPAC Name 1,3-benzodioxole-5-carboxylic acid InChIKey VDVJGIYXDVPQLP-UHFFFAOYSA-N INCHI 1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10) Isomeric SMILES C1OC2=C(O1)C=C(C=C2)C(=O)O WGK Germany 3 RTECS DF4912765 PubChem CID 7196 Molecular Weight 166.13 Beilstein 150206 Reaxy-Rn 150206
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzodioxoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzodioxoles Alternative Parents Benzenoids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Acetals Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzodioxole - Benzenoid - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound Description This compound 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. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Slightly soluble in water. Melt Point(°C) 230-235°C Molecular Weight 166.130 g/mol XLogP3 0.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 1 Exact Mass 166.027 Da Monoisotopic Mass 166.027 Da Topological Polar Surface Area 55.800 Ų Heavy Atom Count 12 Formal Charge 0 Complexity 191.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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