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| IUPAC name : | 3-phenylprop-2-enyl benzoate |
| InChI : | InChI=1/C16H14O2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2 |
| InChIKey : | UARVBDPGNUHYQT-UHFFFAOYAF |
| SMILES : | C1=CC=C(C=C1)C=CCOC(=O)C2=CC=CC=C2 |
| (EINECS) number : | 226-180-2 |
| cas number : | 5320-75-2 |
| coe number : | 743 |
| jecfa number : | 760 |
| fl. number : | 09.780 |
| molar refractivity : | 73.48 ± 0.3 cm3 |
| parachor : | 550.4 ± 4.0 cm3 |
| index of refraction : | 1.607 ± 0.02 |
| surface tension : | 44.8 ± 3.0 dyne/cm |
| density : | 1.120 ± 0.06 g/cm3 |
| polarizability : | 29.13 ± 0.5 10-24cm3 |
| xlogp : | 4.30 |
| molecular weight : | 238.2811600 |
| formula : | C16 H14 O2 |
| BioActivity Analysis : | 136172 |
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| IUPAC name : | [(E)-3-phenylprop-2-enyl] benzoate |
| InChI : | InChI=1/C16H14O2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2/b10-7+ |
| InChIKey : | UARVBDPGNUHYQT-JXMROGBWBU |
| SMILES : | C1=CC=C(C=C1)\C=C\COC(=O)C2=CC=CC=C2 |
| cas number : | 5320-75-2 |
| beilstein number : | 2109179 |
| molar refractivity : | 73.48 ± 0.3 cm3 |
| parachor : | 550.4 ± 4.0 cm3 |
| index of refraction : | 1.607 ± 0.02 |
| surface tension : | 44.8 ± 3.0 dyne/cm |
| density : | 1.120 ± 0.06 g/cm3 |
| polarizability : | 29.13 ± 0.5 10-24cm3 |
| xlogp : | 4.30 |
| molecular weight : | 238.2811600 |
| formula : | C16 H14 O2 |
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| IUPAC name : | [(Z)-3-phenylprop-2-enyl] benzoate |
| InChI : | InChI=1/C16H14O2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1-12H,13H2/b10-7- |
| InChIKey : | UARVBDPGNUHYQT-YFHOEESVBJ |
| SMILES : | C1=CC=C(C=C1)\C=C/COC(=O)C2=CC=CC=C2 |
| cas number : | 5320-75-2 |
| molar refractivity : | 73.48 ± 0.3 cm3 |
| parachor : | 550.4 ± 4.0 cm3 |
| index of refraction : | 1.607 ± 0.02 |
| surface tension : | 44.8 ± 3.0 dyne/cm |
| density : | 1.120 ± 0.06 g/cm3 |
| polarizability : | 29.13 ± 0.5 10-24cm3 |
| xlogp : | 4.30 |
| molecular weight : | 238.2811600 |
| formula : | C16 H14 O2 |
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| fda reg : | 172.515 |
h. number : | unspecified |
| organoleptics : | |
| odor type : | balsamic |
| odor strength : | medium |
odor description :
at 100.00 %. | balsam spicy buttery fruity |
| properties : | |
| appearence : | white crystals |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.04000 @ 20.00 °C.
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| melting point : | 31.00 °C. @ 760.00 mm Hg
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| boiling point : | 209.00 °C. @ 13.00 mm Hg
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| logp : | 4.56 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 4.00 gm/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 348.00 °F. TCC ( 175.56 °C. )
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| limits in the finished product for - "leave on the skin contact" : |
| | 0.5000 % Recommendation.
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| limits in the finished product for - "wash off the skin contact" : |
| | 0.5000 % Recommendation.
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| limits in the finished product for - "no skin contact" : |
| | 6.0000 % Recommendation.
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| recommendation for cinnamyl benzoate usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 226-180-2 |
| chemidplus : | 5320-75-2 |
| epa-srs : | 5320-75-2 |
| dtp/nci : | 245146 |
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| chemidplus : | 005320752 |
| epa-srs : | 5320-75-2 |
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| chemidplus : | 5320-75-2 |
| epa-srs : | 5320-75-2 |
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| other : | |
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| references : | |
| pubchem : | 136172 |
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| pubchem : | 204042 |
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| pubchem : | 39290583 |
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