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| IUPAC name : | 1-(3-methoxyphenyl)ethanone |
| InChI : | InChI=1/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3 |
| InChIKey : | BAYUSCHCCGXLAY-UHFFFAOYAB |
| SMILES : | CC(=O)C1=CC(=CC=C1)OC |
| cas number : | 586-37-8 |
| (EINECS) number : | 209-573-3 |
| beilstein number : | 0878552 |
| molar refractivity : | 42.95 ± 0.3 cm3 |
| parachor : | 349.1 ± 4.0 cm3 |
| index of refraction : | 1.504 ± 0.02 |
| surface tension : | 33.6 ± 3.0 dyne/cm |
| density : | 1.035 ± 0.06 g/cm3 |
| polarizability : | 17.03 ± 0.5 10-24cm3 |
| XlogP3 : | 1.80 |
| molecular weight : | 150.1745000 (IUPAC) |
| formula : | C9 H10 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Nanjing : | 3'-Methoxyacetophenone
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| Pfaltz & Bauer : | m-Methoxyacetophenone
99% |
| Sigma-Aldrich-Aldrich : | 3'-Methoxyacetophenone
97% |
| TCI AMERICA : | 3'-Methoxyacetophenone
>97.0%(GC) |
organoleptics :
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properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.09400 @ 25.00 °C.
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| refractive index : | 1.54100 @ 20.00 °C.
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| melting point : | 94.00 to 96.00 °C. @ 760.00 mm Hg
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| boiling point : | 239.00 to 241.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.08000 mm/Hg @ 25.00 °C. |
| flash point : | 230.00 °F. TCC ( 110.00 °C. )
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| logP (o/w) : | 1.84 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes.
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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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safety references :
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| EPI System : | view |
| Env. Mutagen Info. Center : | Search |
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| WGK Germany : | 3 |
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| | 1-(3-methoxyphenyl)ethanone
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| (EINECS) number : | 209-573-3 |
| chemidplus : | 000586378 |
| EPA Substance Registry Services : | 586-37-8 |
| dtp/nci : | 65593 |
references :
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| | 1-(3-methoxyphenyl)ethanone
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| NIST Chemistry WebBook : | 2715624056 |
| pubchem : | 154766 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |