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| IUPAC name : | prop-2-enyl 4-cyclohexylbutanoate |
| InChI : | InChI=1/C13H22O2/c1-2-11-15-13(14)10-6-9-12-7-4-3-5-8-12/h2,12H,1,3-11H2 |
| InChIKey : | SIIAEMSHVLJRHI-UHFFFAOYAX |
| SMILES : | C=CCOC(=O)CCCC1CCCCC1 |
| cas number : | 7493-65-4 |
| fema number : | 2024 |
| coe number : | 283 |
| jecfa number : | 14 |
| fl. number : | 09.411 |
| molar refractivity : | 61.66 ± 0.3 cm3 |
| parachor : | 537.0 ± 4.0 cm3 |
| index of refraction : | 1.459 ± 0.02 |
| surface tension : | 32.3 ± 3.0 dyne/cm |
| density : | 0.934 ± 0.06 g/cm3 |
| polarizability : | 24.44 ± 0.5 10-24cm3 |
| XlogP : | 4.70 |
| XlogP3-AA : | 4.30 |
| molecular weight : | 210.3125800 (IUPAC) |
| formula : | C13 H22 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2915.60.0000 |
| fda reg : | 172.515 |
Suppliers :
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| Nanjing : | allyl cyclohexanebutyrate
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organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description : at 100.00 %. | fatty fruity pineapple |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.94300 to 0.94900 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.847 to 7.897
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| refractive index : | 1.46080 @ 20.50 °C.
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| boiling point : | 104.00 °C. @ 1.00 mm Hg
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| flash point : | > 200.00 °F. TCC ( > 93.33 °C. )
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| logP (o/w) : | 4.65 |
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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| IFRA purity specification : | < 0.1% free allyl alcohol |
| recommendation for allyl cyclohexyl butyrate usage levels up to : |
| | 8.0000 % in the fragrance concentrate.
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| recommendation for allyl cyclohexyl butyrate usage levels up to : |
| | 20.0000 ppm in the flavor.
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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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| | prop-2-enyl 4-cyclohexylbutanoate
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| chemidplus : | 007493654 |
| EPA Substance Registry Services : | 7493-65-4 |
references :
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| | prop-2-enyl 4-cyclohexylbutanoate
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| fl. number : | 09.411 |
| jecfa number : | 14 |
| pubchem : | 197662 |
other :
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| FDA Everything Added to Food in the United States (EAFUS) | View |