CAS Number94-53-1
Synonyms5-benzodioxolecarboxylicacid; 3,4-(Methylenedioxy)benzoic acid; Piperonylic acid; RARECHEM AL BO 0210; Heliotropic acid; PIPEROYLICACID; heliotropicacid; 3,4-methylenedioxybenzoic acid; T56 BO DO CHJ GVQ; 3,4-methylene dioxybenzoic acid; 3,4-methylenedioxybenzenecarboxylic acid; 1,3-Benzodioxole-5-carboxylic acid; EINECS 202-342-8; MFCD00005830
Molecular FormulaC8H6O4
Molecular Weight166.13
Purity99%
Density1.5±0.1 g/cm3
Boiling Point324.6±31.0 °C at 760 mmHg
Melting Point229-231 °C (lit.)
Appearancepowder
EINECS202-342-8
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 94-53-1 |
| Catalog No. | 2A-9008681 |
| Chinese Name | 胡椒酸 |
| Synonyms | 5-benzodioxolecarboxylicacid; 3,4-(Methylenedioxy)benzoic acid; Piperonylic acid; RARECHEM AL BO 0210; Heliotropic acid; PIPEROYLICACID; heliotropicacid; 3,4-methylenedioxybenzoic acid; T56 BO DO CHJ GVQ; 3,4-methylene dioxybenzoic acid; 3,4-methylenedioxybenzenecarboxylic acid; 1,3-Benzodioxole-5-carboxylic acid; EINECS 202-342-8; MFCD00005830 |
| Molecular Formula | C8H6O4 |
| Molecular Weight | 166.13 |
| Purity | 99 |
| Density | 1.5±0.1 g/cm3 |
| Boiling Point | 324.6±31.0 °C at 760 mmHg |
| Melting Point | 229-231 °C (lit.) |
| Appearance | powder |
| Water Solubility | slightly soluble |
| Storage Condition | Store sealed in a cool, dry place. Make sure the w |
| Application | Piperonylic acid is a natural molecule with methylenedioxy function, simulating the structure of trans-cinnamic acid. Piperonylic acid is a selective inactivator of trans-cinnamic acid 4-hydroxylase. |
| EINECS | 202-342-8 |
| HTC | 29329970 |
| PubChem ID | 24898575 |
| MDL Number | MFCD00005830 |
| SMILES | OC(=O)c1ccc2OCOc2c1 |
| 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 |
| Beilstein/REAXYS | 150206 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| Hazard Symbols | Transport |
| Risk Codes | R22;R37/38;R41 |
| Safety Description | S26;S36/37/39 |
| MSDS | msds/8681_2_94_53_1.pdf |
| Bioactivity | Piperonylic acid is a natural molecule bearing a methylenedioxy function that closely mimics the structure of trans-cinnamic acid. Piperonylic Acid is a selective, mechanism-based inactivator of the trans-cinnamate 4-Hydroxylase[1]. Related Catalog Research Areas >> Infection Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 References [1]. Schalk M, et al, Werck-Reichhart D. Piperonylic acid, a selective, mechanism-based inactivator of the trans-cinnamate 4-hydroxylase: A new tool to control the flux of metabolites in the phenylpropanoid pathway. Plant Physiol. 1998;118(1):209‐218. Chemical & Physical Properties Density 1.5±0.1 g/cm3 Boiling Point 324.6±31.0 °C at 760 mmHg Melting Point 229-231 °C(lit.) Molecular Formula C8H6O4 Molecular Weight 166.131 Flash Point 139.6±18.3 °C Exact Mass 166.026611 PSA 55.76000 LogP 1.31 Vapour Pressure 0.0±0.7 mmHg at 25°C Index of Refraction 1.612 InChIKey VDVJGIYXDVPQLP-UHFFFAOYSA-N SMILES O=C(O)c1ccc2c(c1)OCO2 Water Solubility slightly soluble |
| Use of | Properties Name Piperonylic acid Synonym More Synonyms Heliotropic acid Biological Activity Related Catalog Research Areas >> Infection Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 References [1]. Schalk M, et al, Werck-Reichhart D. Piperonylic acid, a selective, mechanism-based inactivator of the trans-cinnamate 4-hydroxylase: A new tool to control the flux of metabolites in the phenylpropanoid pathway. Plant Physiol. 1998;118(1):209‐218. Chemical & Physical Properties Molecular Formula C8H6O4 Exact Mass 166.026611 PSA 55.76000 Index of Refraction 1.612 InChIKey VDVJGIYXDVPQLP-UHFFFAOYSA-N Water Solubility slightly soluble |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Purity: 0.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available See reverse side of invoice or packing slip. |
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