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| IUPAC name : | 2-cyclohexylethyl acetate |
| InChI : | InChI=1/C10H18O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3 |
| InChIKey : | NOTFZGFABLVTIG-UHFFFAOYAG |
| SMILES : | CC(=O)OCCC1CCCCC1 |
| cas number : | 21722-83-8 |
| (EINECS) number : | 244-543-3 |
| beilstein number : | 2244135 |
| fema number : | 2348 |
| coe number : | 218 |
| jecfa number : | 964 |
| fl. number : | 09.028 |
| molar refractivity : | 48.03 ± 0.3 cm3 |
| parachor : | 428.6 ± 4.0 cm3 |
| index of refraction : | 1.444 ± 0.02 |
| surface tension : | 31.7 ± 3.0 dyne/cm |
| density : | 0.943 ± 0.06 g/cm3 |
| polarizability : | 19.04 ± 0.5 10-24cm3 |
| XlogP : | 3.50 |
| molecular weight : | 170.2487200 |
| formula : | C10 H18 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.39.9050 |
| fda reg : | 172.515 |
Suppliers :
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| IFF : | Cyclohexyl Ethyl Acetate
≥98% (main peak) Odor: A bright minty odor of modest strength having rose and fruity qualities. Pineapple, raspberry, apple, sweet. |
| Inoue : | CYCLOHEXYL ETHYL ACETATE
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| John D. Walsh : | Cyclohexyl Ethyl Acetate
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| Penta : | cyclohexane ethyl acetate
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| Sigma-Aldrich-SAFC : | Cyclohexaneethyl acetate
≥98% Odor: fruity; sweet |
organoleptics :
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| odor type : | floral |
| odor strength : | medium |
odor description :¹ at 100.00 %. | mint rose raspberry plant-like plastic green |
| odor sample from : | International Flavors & Fragrances Inc. |
| substantivity : | 32 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.94400 to 0.95200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.855 to 7.922
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| specific gravity : | 0.94500 to 0.95300 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.873 to 7.939
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| refractive index : | 1.44500 to 1.45000 @ 20.00 °C.
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| boiling point : | 222.00 °C. @ 760.00 mm Hg
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| boiling point : | 97.00 to 98.00 °C. @ 15.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| flash point : | 175.00 °F. TCC ( 79.44 °C. )
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| logP (o/w) : | 3.30 |
safety :
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| Human experience : | 4 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat 3200.00 mg/kg (Wohl, 1974c)
Oral-Rat 2190.00 mg/kg (Moreno, 1978h)
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 5000.00 mg/kg
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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) : | 0.97 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | ND (μg/capita/day) |
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| recommendation for cyclohexyl ethyl acetate usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for cyclohexyl ethyl acetate usage levels up to : |
| | 20.0000 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 |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 1 |
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| | 2-cyclohexylethyl acetate
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| (EINECS) number : | 244-543-3 |
| RTECS : | AG5095000 for 21722-83-8 |
| chemidplus : | 021722838 |
| EPA Substance Registry Services : | 21722-83-8 |
references :
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| | 2-cyclohexylethyl acetate
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| fl. number : | 09.028 |
| jecfa number : | 964 |
| NIST Chemistry WebBook : | 636452088 |
| pubchem : | 172852 |
other :
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| reference : | Luebke, William tgsc, (1988)¹ |