Description

Piperonylic Acid (CAS No. 94-53-1) is a high-purity organic compound with the molecular formula C₈H₆O₄ and IUPAC name 1,3-benzodioxole-5-carboxylic acid. This white to off-white crystalline powder is a versatile intermediate in organic synthesis and pharmaceutical research. With a molecular weight of 166.13 g/mol, it features a benzodioxole ring system coupled with a carboxylic acid functional group, making it valuable for derivatization and coupling reactions. Our Piperonylic Acid is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in sealed containers to maintain stability. Suitable for use in medicinal chemistry, fragrance synthesis, and as a building block for agrochemicals. Store in a cool, dry place away from light and moisture.

Properties

• CAS Number: 94-53-1
• Complexity: 191
• IUPAC Name: 1,3-benzodioxole-5-carboxylic acid
• InChI: InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)
• InChI Key: VDVJGIYXDVPQLP-UHFFFAOYSA-N
• Exact Mass: 166.02660867
• Molecular Formula: C8H6O4
• Molecular Weight: 166.13
• SMILES: C1OC2=C(O1)C=C(C=C2)C(=O)O
• Topological: 55.8
• Monoisotopic Mass: 166.02660867
• Physical Description: Solid; White powder;
• Melting Point: 229 °C
• Synonyms: PIPERONYLIC ACID, 94-53-1, 1,3-Benzodioxole-5-carboxylic acid, Benzo[d][1,3]dioxole-5-carboxylic acid, Heliotropic acid, 3,4-Methylenedioxybenzoic acid, Protocatechuic acid methylene ether, 2H-1,3-Benzodioxole-5-Carboxylic Acid, 3,4-(Methylenedioxy)benzoic acid, 5-Benzodioxolecarboxylic acid, 3,4-Dioxymethylenebenzoic acid, 3,4-Methylene dioxybenzoic acid, NSC 10072, Benzoic acid, 3,4-(methylenedioxy)-, QX3V1NO0KH, EINECS 202-342-8, AI3-05972, NSC-10072, PIPERONYLIC ACID [MI], DTXSID6059104, CHEBI:107644, 1,3-dioxaindane-5-carboxylic acid, benzo(d)(1,3)dioxole-5-carboxylic acid, 5Benzodioxolecarboxylic acid, 3,4Dioxymethylenebenzoic acid, 3,4Methylene dioxybenzoic acid, 1,3Benzodioxole5carboxylic acid, PIPERONYLIC ACID [INCI], DTXCID7048902, Benzoic acid, 3,4(methylenedioxy), 202-342-8, benzo[1,3]dioxole-5-carboxylic acid, MFCD00005830, PIPERONYLIC ACID-2,2-D2, 2H-benzo[d]1,3-dioxolene-5-carboxylic acid, UNII-QX3V1NO0KH, piperonylsaure, 4ddk, 0HN, Spectrum_001164, Piperonylic acid, 99%, Spectrum3_001022, Spectrum4_001152, 5-carboxy-1,3-benzodioxole, BSPBio_002803, KBioGR_001723, KBioSS_001644, SPECTRUM500580, SCHEMBL142318, SCHEMBL408967, CHEMBL573781, 3,4-methylenedioxy-benzoic acid, SCHEMBL20572631, KBio2_001644, KBio2_004212, KBio2_006780, KBio3_002023, VDVJGIYXDVPQLP-UHFFFAOYSA-, Benzoic acid,4-(methylenedioxy)-, BDBM153299, benzoic acid, 3,4-methylenedioxy-, 3, 4-(Methylenedioxy)benzoic acid, 3,4-(Methylenedioxy)-Benzoic acid, CS-D1455, NSC10072, STR05605, BBL011979, SBB003897, STK397540, 1,3-Benzodioxole -5-carboxylic acid, 1,3-benzodioxole-5-carbonsäure, AKOS000113163, benzo[1,3]-dioxole-5-carboxylic acid, BS-3899, CCG-214272, FB34327, PB47803, SDCCGMLS-0065919.P001, SDCCGMLS-0065919.P002, Benzo[d][1,3]dioxole-5-carboxylicacid, Benzo[d][I,3]dioxole-5-carboxylic acid, NCGC00095970-01, NCGC00095970-02, AC-11342, HY-41404, ST097623, SY004612, 1,3-Benzodioxole-5-carboxylic acid, 9CI, Piperonylic acid, purum, >=97.0% (T), DB-011499, NS00040406, P0459, EN300-20111, F16336, 3,4-(Methylenedioxy)benzoic acid;Piperonylic acid, AE-562/40258182, BRD-K52148119-001-01-5, BRD-K52148119-001-02-3, Q27185967, F3318-0150, Z104476884, 3,4-Methylenedioxybenzoic acid; 1,3-Benzodioxole-5-carboxylic acid, InChI=1/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)

Application

Piperonylic Acid serves as a key intermediate in the synthesis of pharmaceuticals, particularly in the development of bioactive molecules targeting neurological and inflammatory pathways. It is utilized in fragrance chemistry to create heliotropin derivatives for perfumery applications. Researchers also employ it as a precursor in agrochemical synthesis for crop protection agents. Its benzodioxole scaffold is of interest in medicinal chemistry for drug discovery programs.

Safety and Hazards

GHS Hazard Statements

• H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (95.7%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (84.8%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
• H319 (15.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (93.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (89.1%)
• Skin Irrit. 2 (95.7%)
• Eye Dam. 1 (84.8%)
• Eye Irrit. 2 (15.2%)
• STOT SE 3 (93.5%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.