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| IUPAC name : | 3-phenylprop-2-enyl 3-phenylprop-2-enoate |
| InChI : | InChI=1/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2 |
| InChIKey : | NQBWNECTZUOWID-UHFFFAOYAL |
| SMILES : | C1=CC=C(C=C1)C=CCOC(=O)C=CC2=CC=CC=C2 |
| (EINECS) number : | 204-566-1 |
| cas number : | 122-69-0 |
| fema number : | 2298 |
| coe number : | 332 |
| jecfa number : | 673 |
| fl. number : | 09.739 |
| molar refractivity : | 84.01 ± 0.3 cm3 |
| parachor : | 613.0 ± 4.0 cm3 |
| index of refraction : | 1.631 ± 0.02 |
| surface tension : | 45.7 ± 3.0 dyne/cm |
| density : | 1.121 ± 0.06 g/cm3 |
| polarizability : | 33.30 ± 0.5 10-24cm3 |
| xlogp : | 4.50 |
| molecular weight : | 264.3184400 |
| formula : | C18 H16 O2 |
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| IUPAC name : | [(E)-3-phenylprop-2-enyl] (E)-3-phenylprop-2-enoate |
| InChI : | InChI=1/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2/b12-7+,14-13+ |
| InChIKey : | NQBWNECTZUOWID-MZXMXVKLBN |
| SMILES : | C1=CC=C(C=C1)\C=C\COC(=O)\C=C\C2=CC=CC=C2 |
| cas number : | 122-69-0 |
| molar refractivity : | 84.01 ± 0.3 cm3 |
| parachor : | 613.0 ± 4.0 cm3 |
| index of refraction : | 1.631 ± 0.02 |
| surface tension : | 45.7 ± 3.0 dyne/cm |
| density : | 1.121 ± 0.06 g/cm3 |
| polarizability : | 33.30 ± 0.5 10-24cm3 |
| xlogp : | 4.50 |
| molecular weight : | 264.3184400 |
| formula : | C18 H16 O2 |
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| IUPAC name : | [(E)-3-phenylprop-2-enyl] (Z)-3-phenylprop-2-enoate |
| InChI : | InChI=1/C18H16O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-14H,15H2/b12-7+,14-13- |
| InChIKey : | NQBWNECTZUOWID-QSYVVUFSBT |
| SMILES : | C1=CC=C(C=C1)\C=C\COC(=O)\C=C/C2=CC=CC=C2 |
| cas number : | 122-69-0 |
| molar refractivity : | 84.01 ± 0.3 cm3 |
| parachor : | 613.0 ± 4.0 cm3 |
| index of refraction : | 1.631 ± 0.02 |
| surface tension : | 45.7 ± 3.0 dyne/cm |
| density : | 1.121 ± 0.06 g/cm3 |
| polarizability : | 33.30 ± 0.5 10-24cm3 |
| xlogp : | 4.50 |
| molecular weight : | 264.3184400 |
| formula : | C18 H16 O2 |
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| fda reg : | 172.515 |
h. number : | 2916.12.6000 |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | sweet balsam floral cassia |
| taste description³ : | at 10.00 - 25.00 ppm.
Spicy, cinnamic balsamic, with a floral, yeasty note and a lingering spicy aftertaste |
| substantivity : | 356 Hour(s) |
| properties : | |
| appearence : | pale yellow crystals |
| assay : | 98.00 - 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| melting point : | 42.00 - 45.00 °C. @ 760.00 mm Hg
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| boiling point : | 370.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.45 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 4200.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rat >5.00 gm/kg
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| flash point ( Deg. F. ) : | > 230.00 °F. TCC ( > 110.00 °C. )
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| recommendation for cinnamyl cinnamate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for cinnamyl cinnamate usage levels up to : |
| | 25.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 204-566-1 |
| rtecs : | GD8562000 for 122-69-0 |
| chemidplus : | 122-69-0 |
| epa-srs : | 122-69-0 |
| dtp/nci : | 46161 |
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| chemidplus : | 000122690 |
| epa-srs : | 122-69-0 |
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| chemidplus : | 122-69-0 |
| epa-srs : | 122-69-0 |
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| other : | |
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| references : | |
| pubchem : | 99607 |
| NIST Chemistry WebBook : | 2859739264 |
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| pubchem : | 173258 |
| NIST Chemistry WebBook : | 1898474814 |
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| pubchem : | 32250232 |
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| reference : | Mosciano, Gerard P&F 25, No. 4, 71, (2000)³ |