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| IUPAC name : | 2-cyclohexyl-3-methylbutanal |
| InChI : | InChI=1/C11H14O/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-9,11H,1-2H3 |
| InChIKey : | UKEXEDXJYSMZGZ-UHFFFAOYAD |
| SMILES : | CC(C)C(C=O)C1=CC=CC=C1 |
| cas number : | 2439-44-3 |
| (EINECS) number : | 219-461-6 |
| fema number : | 2738 |
| coe number : | 135 |
| jecfa number : | 1463 |
| fl. number : | 05.097 |
| molar refractivity : | 49.84 ± 0.3 cm3 |
| parachor : | 408.1 ± 4.0 cm3 |
| index of refraction : | 1.497 ± 0.02 |
| surface tension : | 33.0 ± 3.0 dyne/cm |
| density : | 0.953 ± 0.06 g/cm3 |
| polarizability : | 19.76 ± 0.5 10-24cm3 |
| XlogP : | 3.20 |
| molecular weight : | 162.2282600 (IUPAC) |
| formula : | C11 H14 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | 172.515 |
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 fruity |
properties :
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| appearence : | colorless clear oily liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97200 to 0.98200 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.088 to 8.171
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| refractive index : | 1.49500 to 1.50100 @ 20.00 °C.
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| boiling point : | 238.00 °C. @ 760.00 mm Hg
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| flash point : | 214.00 °F. TCC ( 101.11 °C. )
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| logP (o/w) : | 3.01 |
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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | ND (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.07 (μg/capita/day) |
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| recommendation for alpha-isopropyl phenyl acetaldehyde fragrance usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for alpha-isopropyl phenyl acetaldehyde flavor usage levels up to : |
| | 1.0000 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 |
| Canada Domestic Sub. List : | Yes |
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| | 2-cyclohexyl-3-methylbutanal |
| (EINECS) number : | 219-461-6 |
| chemidplus : | 002439443 |
| EPA Substance Registry Services : | 2439-44-3 |
references :
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| | 2-cyclohexyl-3-methylbutanal |
| fl. number : | 05.097 |
| jecfa number : | 1463 |
| pubchem : | 203855 |
other :
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| FDA Everything Added to Food in the United States (EAFUS) | View |