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| IUPAC name : | prop-2-enyl 3-cyclohexylpropanoate |
| InChI : | InChI=1/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2 |
| InChIKey : | TWXUTZNBHUWMKJ-UHFFFAOYAR |
| SMILES : | C=CCOC(=O)CCC1CCCCC1 |
| cas number : | 2705-87-5 |
| (EINECS) number : | 220-292-5 |
| beilstein number : | 2254663 |
| fema number : | 2026 |
| coe number : | 2223 |
| jecfa number : | 13 |
| fl. number : | 09.498 |
| molar refractivity : | 57.02 ± 0.3 cm3 |
| parachor : | 497.2 ± 4.0 cm3 |
| index of refraction : | 1.458 ± 0.02 |
| surface tension : | 32.2 ± 3.0 dyne/cm |
| density : | 0.940 ± 0.06 g/cm3 |
| polarizability : | 22.60 ± 0.5 10-24cm3 |
| XlogP : | 4.10 |
| XlogP3-AA : | 3.80 |
| molecular weight : | 196.2860000 (IUPAC) |
| formula : | C12 H20 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2916.20.5000 |
| fda reg : | 172.515 |
Suppliers :
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| Apple : | Pineapple ester,Allyl cyclohexylpropionate
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| Berje : | Allyl Cyclo Hexyl Propionate
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| Inoue : | ALLYL CYCLOHEXYL PROPIONATE
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| John D. Walsh : | Allyl Cyclo Hexyl Propionate
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| Moellhausen : | allyl cyclohexyl propanoate
98% min. artifical kosher Odor: fruity apple ananas note, chamomille. |
| Penta : | allyl cyclohexylpropionate
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| SAFC Global® : | Allyl cyclohexylpropionate
≥98%, FCC, Kosher, FG Odor: waxy; pineapple; sweet; sweet |
| Symrise : | Allyl cyclohexyl propionate
Odor: strong, fruity like pineapple, floral-herbaceous like camomile blossoms Flavor: estery green fruity pineapple |
| Vigon : | Allyl Cyclohexyl Propionate
FCC Odor: Strong, fruity like pineapple, floral-herbaceous like camomile blossoms |
organoleptics :
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| odor type : | fruity |
| odor strength : | medium |
odor description: at 100.00 %. | sweet pineapple tropical fruity candy waxy Luebke, William tgsc, (1985) |
| odor sample from : | Givaudan Corporation |
odor description:
| Sweet, fruity, pineapple, waxy, apple and green Mosciano, Gerard P&F 15, No. 3, 51, (1990) |
taste description: at 30.00 ppm. | Fruity, pineapple, waxy, with green sweet apple nuances Mosciano, Gerard P&F 15, No. 3, 51, (1990) |
| substantivity : | 251 hour(s) at 100.00 % |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | Yes |
| specific gravity : | 0.94500 to 0.95300 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.863 to 7.930
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| specific gravity : | 0.94600 to 0.95400 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.881 to 7.947
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| refractive index : | 1.45800 to 1.46300 @ 20.00 °C.
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| boiling point : | 91.00 °C. @ 1.00 mm Hg
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| boiling point : | 264.00 to 265.00 °C. @ 760.00 mm Hg
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| acid value : | 5.00 max. KOH/g
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| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 4.12 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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| Human experience : | 4 % solution: non-sensitising. |
| Oral Toxicity(LD50) : | |
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Oral-Rat 585.00 mg/kg Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
Oral-Guineapig 380.00 mg/kg Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
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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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| Category : | flavor and fragrance agents |
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| IFRA purity specification : | < 0.1% free allyl alcohol |
| recommendation for allyl cyclohexyl propionate fragrance usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for allyl cyclohexyl propionate flavor usage levels up to : |
| | 30.0000 ppm in the flavor.
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safety references :
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| msds : | msds |
| EPI System : | view |
| IFRA : | IFRA - ( Found under : Allyl esters ) |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| SCCNFP : | opinion |
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| WGK Germany : | 3 |
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| | prop-2-enyl 3-cyclohexylpropanoate |
| (EINECS) number : | 220-292-5 |
| RTECS : | GV6735000 for cas# 2705-87-5 |
| chemidplus : | 002705875 |
| EPA Substance Registry Services : | 2705-87-5 |
references :
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| | prop-2-enyl 3-cyclohexylpropanoate |
| fl. number : | 09.498 |
| jecfa number : | 13 |
| NIST Chemistry WebBook : | 3374656467 |
| pubchem : | 160764 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| | C of A |
| RIFM : | listed |
| FMA : | listed |
| FDA Everything Added to Food in the United States (EAFUS) | View |