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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 |
| Molar Refractivity : | 42.18 ± 0.3 cm3 (est) |
| Parachor : | 343.3 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.493 ± 0.02 (est) |
| Surface Tension : | 31.3 ± 3.0 dyne/cm (est) |
| Density : | 0.938 ± 0.06 g/cm3 (est) |
| Polarizability : | 16.72 ± 0.5 10-24cm3 (est) |
| XlogP : | 1.90 (est) |
| XlogP3 : | 2.20 (est) |
| Molecular Weight : | 136.1909800 (IUPAC) (PT) (112) |
| Formula : | C9 H12 O |
| Pherobase Floral: | view |
| NMR Predictor : | Predict |
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| Category : | flavor and fragrance agents |
EU / EUROPA / FDA / JECFA Information :
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| JECFA Food Flavoring : | 1254
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| Fl@vouring Number : | 03.006
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| FDA Mainterm : | METHYL PHENETHYL ETHER. |
Suppliers :
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| Global Essence : | PHENYL ETHYL METHYL ETHER
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| Hofmen : | Methyl phenethyl ether
98% |
| 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 Mainly used in soap fragrances. |
Organoleptics :
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| Odor Type : | green |
| Odor Strength : | medium , recommend smelling in a 10.00 % solution or less |
Odor Description: at 10.00 % in dipropylene glycol. | green floral chrysanthemum jasmin metallic rose Luebke, William tgsc, (1987) |
| Odor sample from : | Givaudan Corporation |
| Substantivity : | 88 Hour(s) |
Properties :
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| Appearence : | colorless clear liquid |
| Food Chemicals Codex Listed : | No |
| Flash Ppoint : | 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 Food and Chemical Toxicology. Vol. 20, Pg. 807, 1982.
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| Inhalation Toxicity(LC50) : | |
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Not determined
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Safety in Use :
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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 26.00 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.01 (μg/capita/day) |
| Structure Class : | II |
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| Recommendation for chrysanthemum oxide fragrance 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 |
| (EINECS) Number : | 222-619-7 |
| Chemidplus : | 003558609 |
| EPA Substance Registry Services : | 3558-60-9 |
| dtp/nci : | 81229 |
References :
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| | 2-methoxyethylbenzene |
| NIST Chemistry WebBook : | 432875159 |
| Pubchem : | 162040 |
Cosmetics :
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| Cosmetic Uses : |
perfuming agents
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Other :
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| Export Tariff Code : | 2909.30.2000 |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |