Structural formula
| Business number | 027X |
|---|---|
| Molecular formula | C17H19NO3 |
| Molecular weight | 285.34 |
| label |
1-(5-(1,3-Benzodioxo-5-yl)-1-oxo-2,4-pentadienyl(-(E,E)-piperidine, 1-[5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]-(E,E)-Piperidine, 1-Piperoylpiperidine |
Numbering system
CAS number:94-62-2
MDL number:MFCD00005839
EINECS number:202-348-0
RTECS number:TN2321500
BRN number:90741
PubChem number:24887584
Physical property data
1. Properties: white powder.
2. Density (g/mL, 20?): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 131-135
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, 10mmHg): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
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10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 85ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined
17. Explosion upper limit (%, V /V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Almost insoluble in water, soluble in ethanol, benzene, acetic acid.
Toxicological data
1. Acute toxicity: Rat oral LD50: 514mg/kg
Mouse oral LD5O: 330mg/kg
Ecological data
Slightly harmful to water.
Molecular structure data
1. Molar refractive index: 82.14
2. Molar volume (cm3/mol): 235.4
3. Isotonic specific volume (90.2K ): 629.2
4. Surface tension (dyne/cm): 51.0
5. Polarizability (10-24cm3): 32.56
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 38.8
7. Number of heavy atoms: 21
8. Surface charge: 0
9. Complexity: 412
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertainty principleNumber of substereocenters: 0
13. Determined number of stereocenters of chemical bonds: 2
14. Uncertain number of stereocenters of chemical bonds: 0
15 .Number of covalent bond units: 1
Properties and stability
Avoid contact with oxides.
Storage method
Stored sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep away from sources of fire and store away from oxidizing agents.
Synthesis method
None
Purpose
Used as an additive for brandy to give it a spicy taste. Also used as insecticide. In addition, it is the main anticonvulsant ingredient in Chinese prescriptions for treating epilepsy (white pepper and radish). It is used as a spicy raw material in the food industry and has a bactericidal effect.
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