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| IUPAC name : | 1-methyl-4-phenoxybenzene |
| InChI : | InChI=1/C13H12O/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12/h2-10H,1H3 |
| InChIKey : | SSTNIXFHCIOCJI-UHFFFAOYAZ |
| SMILES : | CC1=CC=C(C=C1)OC2=CC=CC=C2 |
| cas number : | 1706-12-3 |
| (EINECS) number : | 216-944-3 |
| molar refractivity : | 57.52 ± 0.3 cm3 |
| parachor : | 436.0 ± 4.0 cm3 |
| index of refraction : | 1.566 ± 0.02 |
| surface tension : | 37.4 ± 3.0 dyne/cm |
| density : | 1.045 ± 0.06 g/cm3 |
| polarizability : | 22.80 ± 0.5 10-24cm3 |
| XlogP : | 3.90 |
| XlogP3 : | 4.60 |
| molecular weight : | 184.2337800 (IUPAC) |
| formula : | C13 H12 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Inoue : | METHYL DIPHENYL ETHER
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organoleptics :
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| odor type : | floral |
| odor strength : | medium , recommend smelling in a 1.00 % solution or less |
odor description: at 1.00 % in dipropylene glycol. | narcissus rose |
taste description:
| mulberry |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.06300 @ 25.00 °C.
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| boiling point : | 277.00 to 278.00 °C. @ 745.00 mm Hg
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| vapor pressure : | 0.01200 mm/Hg @ 25.00 °C. |
| flash point : | 231.00 °F. TCC ( 110.56 °C. )
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| logP (o/w) : | 4.67 |
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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| recommendation for para-cresyl phenyl ether fragrance usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for para-cresyl phenyl ether flavor usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| | 1-methyl-4-phenoxybenzene |
| (EINECS) number : | 216-944-3 |
| chemidplus : | 001706123 |
| EPA Substance Registry Services : | 1706-12-3 |
| dtp/nci : | 83594 |
references :
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| | 1-methyl-4-phenoxybenzene |
| pubchem : | 216587 |
other :
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