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| IUPAC name : | 2-(1-butoxyethoxy)ethylbenzene |
| InChI : | InChI=1/C14H22O2/c1-3-4-11-15-13(2)16-12-10-14-8-6-5-7-9-14/h5-9,13H,3-4,10-12H2,1-2H3 |
| InChIKey : | JBEADRDKGADTFN-UHFFFAOYAI |
| SMILES : | CCCCOC(C)OCCC1=CC=CC=C1 |
| cas number : | 64577-91-9 |
| (EINECS) number : | 264-948-9 |
| fema number : | 3125 |
| coe number : | 10007 |
| jecfa number : | 1001 |
| fl. number : | 06.036 |
| molar refractivity : | 67.04 ± 0.3 cm3 |
| parachor : | 559.2 ± 4.0 cm3 |
| index of refraction : | 1.483 ± 0.02 |
| surface tension : | 32.4 ± 3.0 dyne/cm |
| density : | 0.948 ± 0.06 g/cm3 |
| polarizability : | 26.58 ± 0.5 10-24cm3 |
| XlogP : | 3.60 |
| XlogP3-AA : | 3.70 |
| molecular weight : | 222.3232800 (IUPAC) |
| formula : | C14 H22 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2911.00.5000 |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | benzene,[2-(1-butoxyethoxy)ethyl]-
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organoleptics :
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| odor type : | green |
| odor strength : | medium |
odor description : at 100.00 %. | green leafy vegetable |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.92300 to 0.93500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.680 to 7.780
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| refractive index : | 1.46700 to 1.48100 @ 20.00 °C.
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| boiling point : | 280.00 to 282.00 °C. @ 760.00 mm Hg
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| flash point : | 195.00 °F. TCC ( 90.56 °C. )
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| logP (o/w) : | 3.91 |
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) : | 0.012 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | ND (μg/capita/day) |
| Structure Class : | I |
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| recommendation for acetaldehyde butyl phenethyl acetal usage levels up to : |
| | 0.5000 % in the fragrance concentrate.
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| recommendation for acetaldehyde butyl phenethyl acetal usage levels up to : |
| | 5.0000 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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| | 2-(1-butoxyethoxy)ethylbenzene
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| (EINECS) number : | 264-948-9 |
| chemidplus : | 064577919 |
| EPA Substance Registry Services : | 64577-91-9 |
references :
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| | 2-(1-butoxyethoxy)ethylbenzene
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| fl. number : | 06.036 |
| jecfa number : | 1001 |
| pubchem : | 205062 |
other :
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| FDA Everything Added to Food in the United States (EAFUS) | View |