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| IUPAC name : | 2-methoxyethylbenzene |
| InChI : | InChI=1/C9H12O/c1-10-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey : | CQLYXIUHVFRXLT-UHFFFAOYAS |
| SMILES : | COCCC1=CC=CC=C1 |
| cas number : | 3558-60-9 |
| (EINECS) number : | 222-619-7 |
| beilstein number : | 1857538 |
| fema number : | 3198 |
| coe number : | 11812 |
| jecfa number : | 1254 |
| fl. number : | 03.006 |
| 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 : | 1.90 |
| molecular weight : | 136.1909800 |
| formula : | C9 H12 O |
| NMR Predictor : | Predict |
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| export tariff code : | 2909.30.2000 |
| fda reg : | unspecified |
Suppliers :
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| Inoue : | METHYL PHENETHYL ETHER
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| Moellhausen : | phenylethyl methyl ether
97% min. nature identical kosher Odor: fresh, etheral floral, rose- and jasmin-like, somewhat fruity. |
| Penta : | phenyl ethyl methyl ether
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| Sigma-Aldrich-Aldrich : | Methyl phenethyl ether
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| Takasago : | Phenyl Ethyl Methyl Ether
≥99% as Phenyl ethyl methyl ether Odor: Hyacinth-like floral. |
organoleptics :
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| odor type : | green |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | green floral chrysanthemum jasmin metallic rose |
| odor sample from : | Givaudan Corporation |
| substantivity : | 88 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.94500 to 0.95300 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.863 to 7.930
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| specific gravity : | 0.94600 to 0.95400 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.881 to 7.947
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| refractive index : | 1.49600 to 1.50100 @ 20.00 °C.
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| boiling point : | 185.00 to 187.00 °C. @ 760.00 mm Hg
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| boiling point : | 100.00 to 104.00 °C. @ 25.00 mm Hg
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| flash point : | 150.00 °F. TCC ( 65.56 °C. )
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| logP (o/w) : | 2.14 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
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| Human experience : | 8 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Gavage-Rat [sex: M,F] <5000.00 mg/kg (Shelanski & Moldovan, 1971c)
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 3970.00 mg/kg
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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) : | 26.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.01 (μg/capita/day) |
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| recommendation for chrysanthemum oxide usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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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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| WGK Germany : | 3 |
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| | 2-methoxyethylbenzene
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| (EINECS) number : | 222-619-7 |
| chemidplus : | 003558609 |
| EPA Substance Registry Services : | 3558-60-9 |
| dtp/nci : | 81229 |
references :
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| | 2-methoxyethylbenzene
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| fl. number : | 03.006 |
| jecfa number : | 1254 |
| NIST Chemistry WebBook : | 432875159 |
| pubchem : | 162040 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1987)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |