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| IUPAC name : | 5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one |
| InChI : | InChI=1/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2 |
| InChIKey : | MXXWOMGUGJBKIW-UHFFFAOYAN |
| SMILES : | C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2)OCO3 |
| cas number : | 7780-20-3 |
| beilstein number : | 0090741 |
| fema number : | 2909 |
| coe number : | 492 |
| jecfa number : | 1600 |
| fl. number : | 14.003 |
| molar refractivity : | 82.14 ± 0.3 cm3 |
| parachor : | 629.2 ± 6.0 cm3 |
| index of refraction : | 1.614 ± 0.02 |
| surface tension : | 51.0 ± 3.0 dyne/cm |
| density : | 1.211 ± 0.06 g/cm3 |
| polarizability : | 32.56 ± 0.5 10-24cm3 |
| xlogp : | 3.20 |
| molecular weight : | 285.3376600 |
| formula : | C17 H19 N O3 |
| BioActivity Analysis : | 135115 |
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| IUPAC name : | (2E,4E)-5-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpenta-2,4-dien-1-one |
| InChI : | InChI=1/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+ |
| InChIKey : | MXXWOMGUGJBKIW-YPCIICBEBY |
| SMILES : | C1CCN(CC1)C(=O)\C=C\C=C\C2=CC3=C(C=C2)OCO3 |
| (EINECS) number : | 202-348-0 |
| cas number : | 94-62-2 |
| beilstein number : | 0090741 |
| fema number : | 2909 |
| coe number : | 492 |
| jecfa number : | 1600 |
| fl. number : | 14.003 |
| molar refractivity : | 82.14 ± 0.3 cm3 |
| parachor : | 629.2 ± 6.0 cm3 |
| index of refraction : | 1.614 ± 0.02 |
| surface tension : | 51.0 ± 3.0 dyne/cm |
| density : | 1.211 ± 0.06 g/cm3 |
| polarizability : | 32.56 ± 0.5 10-24cm3 |
| xlogp : | 3.20 |
| molecular weight : | 285.3376600 |
| formula : | C17 H19 N O3 |
| BioActivity Analysis : | 84021 |
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| fda reg : | 172.515 |
h. number : | unspecified |
| organoleptics : | |
| odor type : | spicy |
| odor strength : | medium ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in propylene glycol. | pepper animal |
| properties : | |
| appearence : | colorless prisms |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 131.00 - 135.00 °C. @ 760.00 mm Hg
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| boiling point : | 498.00 - 499.00 °C. @ 760.00 mm Hg
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| logp : | 3.69 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 514.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 491.00 °F. TCC ( 255.00 °C. )
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| recommendation for piperine usage levels up to : |
| | not for fragrance use.
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| recommendation for piperine usage levels up to : |
| | 0.0100 ppm in the flavor.
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| safety links : | |
| chemidplus : | 007780203 |
| epa-srs : | 7780-20-3 |
| dtp/nci : | 242267 |
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| (EINECS) number : | 202-348-0 |
| rtecs : | TN2321500 for 94-62-2 |
| chemidplus : | 000094622 |
| epa-srs : | 94-62-2 |
| dtp/nci : | 21727 |
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| other : | |
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| references : | |
| pubchem : | 677223 |
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| pubchem : | 150243 |
| NIST Chemistry WebBook : | 1200261816 |
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