Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Piperonylic acid

Related Products

Hot Products

Name

Piperonylic acid

EINECS 202-342-8
CAS No. 94-53-1 Density 1.468 g/cm3
PSA 55.76000 LogP 1.11350
Solubility slightly soluble in water Melting Point 229-231 °C(lit.)
Formula C8H6O4 Boiling Point 324.6 °C at 760 mmHg
Molecular Weight 166.133 Flash Point 139.6 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-36/37/39 Risk Codes 22-37/38-41
Molecular Structure Molecular Structure of 94-53-1 (Piperonylic acid) Hazard Symbols HarmfulXn
Synonyms

Piperonylicacid (6CI,7CI,8CI);3,4-Dioxymethylenebenzoic acid;3,4-Methylenedioxybenzenecarboxylic acid;3,4-Methylenedioxybenzoic acid;5-Benzodioxolecarboxylic acid;Heliotropic acid;NSC 10072;NSC 119055;Protocatechuic acid methylene ether;1-3-Benzodioxole-5-carboxylic acid;

Article Data 193

Piperonylic acid Specification

The 1,3-Benzodioxole-5-carboxylicacid, with the CAS registry number 94-53-1 and EINECS registry number 202-342-8, is also called 3,4-Methylenedioxybenzoic Acid. It is a kind of white to light yellow crystal power, and belongs to the following product categories: Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Benzodiozoles, Benzodioxines & Benzodioxepines; Carboxylic Acids; Benzodiozoles, Benzodioxines & Benzodioxepines; Carboxylic Acids. And the molecular formula of the chemical is C8H6O4.

The characteristics of 1,3-Benzodioxole-5-carboxylicacid are as followings: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): -0.79; (5)ACD/BCF (pH 5.5): 1.32; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.72; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.612; (14)Molar Refractivity: 39.34 cm3; (15)Molar Volume: 113.1 cm3; (16)Polarizability: 15.59×10-24cm3; (17)Surface Tension: 67.8 dyne/cm; (18)Density: 1.468 g/cm3; (19)Flash Point: 139.6 °C; (20)Enthalpy of Vaporization: 59.82 kJ/mol; (21)Boiling Point: 324.6 °C at 760 mmHg; (22)Vapour Pressure: 9.95E-05 mmHg at 25°C.

Preparation of 1,3-Benzodioxole-5-carboxylicacid: This chemical can be prepared by benzo[1,3]dioxol-5-yl-methanol. The reaction will need reagent NaH and pyrazole, and the menstruum tetrahydrofuran. The reaction time is 20 hours with ambient temperature, and the yield is about 97%. 

Uses of 1,3-Benzodioxole-5-carboxylicacid: It can react with methanol to produce benzo[1,3]dioxole-5-carboxylic acid methyl ester. This reaction will need reagent H2SO4. The reaction time is 18 hours with heating, and the yield is about 83.3%.  

You should be cautious while dealing with this chemical. It irritates to respiratory system and skin, and it is also harmful if swallowed. WHat's more, it may cause serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1ccc2OCOc2c1
(2)InChI: InChI=1/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)
(3)InChIKey: VDVJGIYXDVPQLP-UHFFFAOYAN

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 94-53-1