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| IUPAC name : | 3-phenylpropyl 3-phenylprop-2-enoate |
| InChI : | InChI=1/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12,15H2 |
| InChIKey : | LYRAHIUDQRJGGZ-UHFFFAOYAQ |
| SMILES : | C1=CC=C(C=C1)CCCOC(=O)C=CC2=CC=CC=C2 |
| (EINECS) number : | 204-565-6 |
| cas number : | 122-68-9 |
| fema number : | 2894 |
| coe number : | 338 |
| jecfa number : | 672 |
| fl. number : | 09.745 |
| molar refractivity : | 82.30 ± 0.3 cm3 |
| parachor : | 626.4 ± 4.0 cm3 |
| index of refraction : | 1.589 ± 0.02 |
| surface tension : | 43.3 ± 3.0 dyne/cm |
| density : | 1.091 ± 0.06 g/cm3 |
| polarizability : | 32.62 ± 0.5 10-24cm3 |
| xlogp : | 4.50 |
| molecular weight : | 266.3343200 |
| formula : | C18 H18 O2 |
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| IUPAC name : | 3-phenylpropyl (E)-3-phenylprop-2-enoate |
| InChI : | InChI=1/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12,15H2/b14-13+ |
| InChIKey : | LYRAHIUDQRJGGZ-BUHFOSPRBC |
| SMILES : | C1=CC=C(C=C1)CCCOC(=O)\C=C\C2=CC=CC=C2 |
| cas number : | 122-68-9 |
| molar refractivity : | 82.30 ± 0.3 cm3 |
| parachor : | 626.4 ± 4.0 cm3 |
| index of refraction : | 1.589 ± 0.02 |
| surface tension : | 43.3 ± 3.0 dyne/cm |
| density : | 1.091 ± 0.06 g/cm3 |
| polarizability : | 32.62 ± 0.5 10-24cm3 |
| xlogp : | 4.50 |
| molecular weight : | 266.3343200 |
| formula : | C18 H18 O2 |
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| IUPAC name : | 3-phenylpropyl (Z)-3-phenylprop-2-enoate |
| InChI : | InChI=1/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12,15H2/b14-13- |
| InChIKey : | LYRAHIUDQRJGGZ-YPKPFQOOBU |
| SMILES : | C1=CC=C(C=C1)CCCOC(=O)\C=C/C2=CC=CC=C2 |
| cas number : | 122-68-9 |
| molar refractivity : | 82.30 ± 0.3 cm3 |
| parachor : | 626.4 ± 4.0 cm3 |
| index of refraction : | 1.589 ± 0.02 |
| surface tension : | 43.3 ± 3.0 dyne/cm |
| density : | 1.091 ± 0.06 g/cm3 |
| polarizability : | 32.62 ± 0.5 10-24cm3 |
| xlogp : | 4.50 |
| molecular weight : | 266.3343200 |
| formula : | C18 H18 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 apricot |
| substantivity : | 400 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.07400 - 1.07600 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.937 to 8.953
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| refractive index : | 1.58500 - 1.58700 @ 20.00 °C.
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| boiling point : | 300.00 - 301.00 °C. @ 0.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 4.65 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat >5.00 gm/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 501.00 °F. TCC ( 260.56 °C. )
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| recommendation for 3-phenyl propyl cinnamate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for 3-phenyl propyl cinnamate usage levels up to : |
| | 5.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 204-565-6 |
| chemidplus : | 122-68-9 |
| epa-srs : | 122-68-9 |
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| chemidplus : | 122-68-9 |
| epa-srs : | 122-68-9 |
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| chemidplus : | 000122689 |
| epa-srs : | 122-68-9 |
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| other : | |
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| references : | |
| pubchem : | 10505857 |
| NIST Chemistry WebBook : | 2028320617 |
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| pubchem : | 39294063 |
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| pubchem : | 197288 |
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