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| IUPAC name : | hexyl (E)-3-phenylprop-2-enoate |
| InChI : | InChI=1/C15H20O2/c1-2-3-4-8-13-17-15(16)12-11-14-9-6-5-7-10-14/h5-7,9-12H,2-4,8,13H2,1H3/b12-11+ |
| InChIKey : | UYWPFEKMTYDVQM-VAWYXSNFBT |
| SMILES : | CCCCCCOC(=O)\C=C\C1=CC=CC=C1 |
| cas number : | 3488-00-4 |
| (EINECS) number : | 222-479-7 |
| molar refractivity : | 71.71 ± 0.3 cm3 |
| parachor : | 573.6 ± 4.0 cm3 |
| index of refraction : | 1.527 ± 0.02 |
| surface tension : | 36.7 ± 3.0 dyne/cm |
| density : | 0.997 ± 0.06 g/cm3 |
| polarizability : | 28.42 ± 0.5 10-24cm3 |
| XlogP : | 4.70 |
| molecular weight : | 232.3181000 |
| formula : | C15 H20 O2 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Penta : | hexyl cinnamate
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organoleptics :
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| odor type : | balsamic |
| odor strength : | medium |
odor description :¹ at 100.00 %. | cypress cuminic acetate fruity balsam |
| odor sample from : | CTC Organics |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99700 @ 25.00 °C.
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| refractive index : | 1.50150 @ 25.00 °C.
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| boiling point : | 324.00 °C. @ 760.00 mm Hg
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| flash point : | 354.00 °F. TCC ( 178.89 °C. )
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| logP (o/w) : | 4.83 |
safety :
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| Oral Toxicity(LD50) : |
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Not determined
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for hexyl cinnamate usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
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| | hexyl (E)-3-phenylprop-2-enoate
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| (EINECS) number : | 222-479-7 |
| chemidplus : | 003488004 |
| EPA Substance Registry Services : | 3488-00-4 |
references :
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| | hexyl (E)-3-phenylprop-2-enoate
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| pubchem : | 684622 |
other :
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| reference : | Luebke, William tgsc, (1993)¹ |