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| IUPAC name : | 1-methoxy-2-methylbenzene |
| InChI : | InChI=1/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3 |
| InChIKey : | DTFKRVXLBCAIOZ-UHFFFAOYAG |
| SMILES : | CC1=CC=CC=C1OC |
| cas number : | 578-58-5 |
| (EINECS) number : | 209-426-3 |
| fema number : | 2680 |
| coe number : | 187 |
| jecfa number : | 1242 |
| fl. number : | 04.014 |
| molar refractivity : | 37.75 ± 0.3 cm3 |
| parachor : | 301.5 ± 4.0 cm3 |
| index of refraction : | 1.493 ± 0.02 |
| surface tension : | 29.2 ± 3.0 dyne/cm |
| density : | 0.941 ± 0.06 g/cm3 |
| polarizability : | 14.96 ± 0.5 10-24cm3 |
| XlogP : | 2.20 |
| molecular weight : | 122.1644000 |
| formula : | C8 H10 O |
| NMR Predictor : | Predict |
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| export tariff code : | 3909.30 |
| fda reg : | 172.515 |
Suppliers :
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| Penta : | 2-methyl anisole
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| Sigma-Aldrich-SAFC : | 2-Methyl anisole
≥99%, Kosher Odor: earthy; floral; walnut |
organoleptics :
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| odor type : | naphthyl |
| odor strength : | medium , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | sweet nutty floral earthy walnut |
properties :
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| appearence : | colorless clear liquid |
| assay : | 99.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98300 to 0.98600 @ 15.50 °C.
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| pounds per gallon - calc. : | 8.180 to 8.205
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| refractive index : | 1.51800 to 1.52200 @ 15.30 °C.
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| boiling point : | 170.00 to 172.00 °C. @ 760.00 mm Hg
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| boiling point : | 63.00 to 64.00 °C. @ 14.00 mm Hg
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| vapor pressure : | 1.50000 mm/Hg @ 25.00 °C. |
| flash point : | 125.00 °F. TCC ( 51.67 °C. )
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| logP (o/w) : | 2.74 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 10 - Flammable. R 38 - Irritating to skin. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. 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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| 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) : | 2.40 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.06 (μg/capita/day) |
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| recommendation for ortho-methyl anisole usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for ortho-methyl anisole usage levels up to : |
| | 50.0000 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 |
| Cancer Citations : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1993 |
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| WGK Germany : | 3 |
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| | 1-methoxy-2-methylbenzene
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| (EINECS) number : | 209-426-3 |
| chemidplus : | 000578585 |
| EPA Substance Registry Services : | 578-58-5 |
| dtp/nci : | 6253 |
references :
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| | 1-methoxy-2-methylbenzene
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| fl. number : | 04.014 |
| jecfa number : | 1242 |
| NIST Chemistry WebBook : | 1756580020 |
| pubchem : | 197385 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |