94-53-1

Basic information

• Product Name: Piperonylic acid
• Synonyms: 1,3-BENZODIOXOLE-5-CARBOXYLIC ACID;3,4-METHYLENDIOXYBENZOIC ACID;3,4-(METHYLENEDIOXY)BENZOIC ACID;AKOS 213-90;TIMTEC-BB SBB003897;3,4-dioxymethylenebenzoicacid;5-benzodioxolecarboxylicacid;Benzoic acid, 3,4-(methylenedioxy)-
• CAS NO: 94-53-1
• Molecular Formula: C₈H₆O₄
• Molecular Weight: 166.13
• EINECS: 202-342-8
• Product Categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts;Benzodiozoles, Benzodioxines & Benzodioxepines;Carboxylic Acids;Benzodiozoles, Benzodioxines & Benzodioxepines;Carboxylic Acids;Building Blocks;C8;Carbonyl Compounds;Chemical Synthesis;Organic Building Blocks;Quinoxalines ,Quinazolines ,Quinaldines
• Mol File: 94-53-1.mol

Chemical Properties

• Melting Point: 229-231 °C(lit.)
• Boiling Point: 254.32°C (rough estimate)
• Flash Point: 139.6 °C
• Appearance: Off-white to beige/Powder
• Density: 1.3579 (rough estimate)
• Vapor Pressure: 9.95E-05mmHg at 25°C
• Refractive Index: 1.5090 (estimate)
• Storage Temp.: Store below +30°C.
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 4.35±0.20(Predicted)
• Water Solubility: slightly soluble
• Merck: 14,7477
• BRN: 150206
• CAS DataBase Reference: Piperonylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: Piperonylic acid(94-53-1)
• EPA Substance Registry System: Piperonylic acid(94-53-1)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 22-37/38-41-36/37/38
• Safety Statements: 26-36/37/39-37/39
• WGK Germany: 3
• RTECS: DF4912765
• TSCA: Yes
• Hazardous Substances Data: 94-53-1(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
Piperonylic acid is used as a key intermediate in the synthesis of various pharmaceutical compounds, including insecticides and agrochemicals. Its unique structure allows it to be a versatile building block for the development of new drugs and chemicals.
Used in Flavor and Fragrance Industry:
Due to its aromatic properties, Piperonylic acid is used as a flavoring agent and fragrance ingredient in the food and cosmetics industries. Its pleasant scent and taste make it a valuable addition to a wide range of products.
Used in Organic Synthesis:
Piperonylic acid serves as a valuable starting material in organic synthesis, particularly for the production of various organic compounds and fine chemicals. Its reactivity and functional groups make it a useful precursor for the synthesis of a diverse range of molecules.

Synthesis Reference(s)

The Journal of Organic Chemistry, 40, p. 3803, 1975 DOI: 10.1021/jo00913a051

Purification Methods

Crystallise the acid from EtOH or water. [Beilstein 19/7 V 300.]

InChI:InChI=1/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)

Upstream product

• 109-72-8 n-butyllithium 
• 2635-13-4 1,2-(methylenedioxy)-4-bromobenzene 
• 60-29-7 diethyl ether 
• 120-57-0 piperonal 
• 98-95-3 nitrobenzene 
• 94-59-7 1-allyl-3,4-methylenedioxybenzene 
• 3162-29-6 1-(benzo[d][1,3]dioxol-6-yl)ethanone 
• 99-50-3 3,4-Dihydroxybenzoic acid 
• 75-11-6 diiodomethane 
• 4676-39-5 1-(1,3-benzodioxol-5-yl)-2-propanone 
• 2861-28-1 1,3-benzodioxole-5-acetic acid 
• 109733-91-7 bis-(6-methyl-benzo[1,3]dioxol-5-yl)-methane 
• 110029-53-3 1,1-bis-(6-methyl-benzo[1,3]dioxol-5-yl)-ethane 
• 34827-26-4 bis(2-propyl-4,5-methylenedioxyphenyl)methane 

Downstream Products

• 326-56-7 methyl 3,4-methylenedioxybenzoate 
• 6951-08-2 ethyl 1,3-benzodioxole-5-carboxylate 
• 50-00-0 formaldehyd 
• 99-50-3 3,4-Dihydroxybenzoic acid 
• 5279-32-3 5,6-dibromo-1,3-benzodioxole 
• 25054-53-9 3,4-(methylenedioxy)benzoyl chloride 
• 6938-53-0 benzo[d][1,3]dioxole-5-carboxylic anhydride 
• 2620-44-2 5-nitro-1,3-benzodioxole 
• 7748-59-6 5,6-dinitro-benzo[1,3]dioxole 
• 861079-54-1 3-hydroxy-4-methoxymethoxy-benzoic acid 
• 860596-42-5 4-hydroxy-3-methoxymethoxy-benzoic acid 
• 120-80-9 benzene-1,2-diol 
• 99-06-9 3-Carboxyphenol 
• 74828-34-5 N-(2,3,4-trimethoxyphenethyl)(3',4'-methylenedioxyphenyl)acetamide 

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