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| IUPAC name : | ethoxymethylbenzene |
| InChI : | InChI=1/C9H12O/c1-2-10-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey : | AXPZDYVDTMMLNB-UHFFFAOYAN |
| SMILES : | CCOCC1=CC=CC=C1 |
| cas number : | 539-30-0 |
| (EINECS) number : | 208-714-6 |
| fema number : | 2144 |
| coe number : | 521 |
| jecfa number : | 1252 |
| fl. number : | 03.003 |
| molar refractivity : | 42.18 ± 0.3 cm3 |
| parachor : | 343.3 ± 4.0 cm3 |
| index of refraction : | 1.493 ± 0.02 |
| surface tension : | 31.3 ± 3.0 dyne/cm |
| density : | 0.938 ± 0.06 g/cm3 |
| polarizability : | 16.72 ± 0.5 10-24cm3 |
| XlogP : | 2.20 |
| XlogP3 : | 2.30 |
| molecular weight : | 136.1909800 (IUPAC) |
| formula : | C9 H12 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | 172.515 |
Suppliers :
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| Nanjing : | benzene,(ethoxymethyl)-
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| Penta : | benzyl ethyl ether
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| Pfaltz & Bauer : | Benzyl Ethyl Ether
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description : at 100.00 %. | powerful fruity pineapple |
properties :
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| appearence : | colorless clear oily liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.94700 to 0.95100 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.880 to 7.913
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| refractive index : | 1.49300 to 1.49800 @ 20.00 °C.
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| boiling point : | 87.00 to 88.00 °C. @ 30.00 mm Hg
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| boiling point : | 186.00 to 187.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.92500 mm/Hg @ 25.00 °C. |
| flash point : | 143.00 °F. TCC ( 61.67 °C. )
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| logP (o/w) : | 2.16 |
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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.0024 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 2.00 (μg/capita/day) |
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| recommendation for benzyl ethyl ether usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for benzyl ethyl ether usage levels up to : |
| | 8.0000 ppm in the flavor.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| | ethoxymethylbenzene
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| (EINECS) number : | 208-714-6 |
| chemidplus : | 000539300 |
| EPA Substance Registry Services : | 539-30-0 |
| dtp/nci : | 8066 |
references :
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| | ethoxymethylbenzene
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| fl. number : | 03.003 |
| jecfa number : | 1252 |
| NIST Chemistry WebBook : | 1303956868 |
| pubchem : | 154177 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |