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| IUPAC name : | 1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene |
| InChI : | InChI=1/C12H16O2/c1-4-6-10-7-8-11(14-5-2)12(9-10)13-3/h4,6-9H,5H2,1-3H3/b6-4+ |
| InChIKey : | AOSKXPFBGRLCEG-GQCTYLIABS |
| SMILES : | CCOC1=C(C=C(C=C1)\C=C\C)OC |
| cas number : | 7784-67-0 |
| (EINECS) number : | 232-072-6 |
| fema number : | 2472 |
| coe number : | 190 |
| jecfa number : | 1267 |
| fl. number : | 04.017 |
| molar refractivity : | 60.13 ± 0.3 cm3 |
| parachor : | 463.3 ± 4.0 cm3 |
| index of refraction : | 1.529 ± 0.02 |
| surface tension : | 31.9 ± 3.0 dyne/cm |
| density : | 0.986 ± 0.06 g/cm3 |
| polarizability : | 23.83 ± 0.5 10-24cm3 |
| XlogP : | 3.50 |
| molecular weight : | 192.2542400 |
| formula : | C12 H16 O2 |
| BioActivity Analysis : | 427392 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | 172.515 |
Suppliers :
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| Sigma-Aldrich-Aldrich : | isoeugenyl ethyl ether
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organoleptics :
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| odor type : | spicy |
| odor strength : | medium |
odor description : at 100.00 %. | like isoeugenol |
properties :
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| appearence : | white to pale yellow crystals |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 63.00 to 64.00 °C. @ 760.00 mm Hg
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| boiling point : | 245.00 °C. @ 760.00 mm Hg
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| flash point : | 229.00 °F. TCC ( 109.44 °C. )
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| logP (o/w) : | 3.58 |
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 ethyl isoeugenol usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| | 1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene
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| (EINECS) number : | 232-072-6 |
| chemidplus : | 007784670 |
| EPA Substance Registry Services : | 7784-67-0 |
| dtp/nci : | 142123 |
references :
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| | 1-ethoxy-2-methoxy-4-[(E)-prop-1-enyl]benzene
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| fl. number : | 04.017 |
| jecfa number : | 1267 |
| pubchem : | 427392 |
other :
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