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| IUPAC name : | prop-2-enyl nonanoate |
| InChI : | InChI=1/C12H22O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-11H2,1H3 |
| InChIKey : | MFLWLDDOGSNSKO-UHFFFAOYAJ |
| SMILES : | CCCCCCCCC(=O)OCC=C |
| cas number : | 7493-72-3 |
| (EINECS) number : | 231-334-7 |
| fema number : | 2036 |
| coe number : | 390 |
| jecfa number : | 6 |
| fl. number : | 09.109 |
| molar refractivity : | 59.14 ± 0.3 cm3 |
| parachor : | 523.3 ± 4.0 cm3 |
| index of refraction : | 1.438 ± 0.02 |
| surface tension : | 29.1 ± 3.0 dyne/cm |
| density : | 0.880 ± 0.06 g/cm3 |
| polarizability : | 23.44 ± 0.5 10-24cm3 |
| XlogP : | 4.50 |
| XlogP3-AA : | 4.30 |
| molecular weight : | 198.3018800 (IUPAC) |
| formula : | C12 H22 O2 |
| BioActivity Analysis : | 17389193 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | 172.515 |
Suppliers :
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| Inoue : | ALLYL NONANOATE
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| Nanjing : | allyl nonanoate
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| Penta : | allyl nonanoate
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| Pfaltz & Bauer : | Allyl Pelargonate
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organoleptics :
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| odor type : | waxy |
| odor strength : | medium |
odor description : at 100.00 %. | sweet waxy fruity wine creamy vinous pineapple |
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 : | 0.87800 @ 20.00 °C.
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| refractive index : | 1.43000 @ 20.00 °C.
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| boiling point : | 151.00 °C. @ 50.00 mm Hg
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| boiling point : | 87.00 to 91.00 °C. @ 3.00 mm Hg
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| flash point : | 192.00 °F. TCC ( 88.89 °C. )
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| logP (o/w) : | 4.71 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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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 nonanoate usage levels up to : |
| | 4.0000 % in the fragrance concentrate.
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| recommendation for allyl nonanoate usage levels up to : |
| | 10.0000 ppm in the flavor.
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safety references :
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| EPI System : | view |
| IFRA : | IFRA - ( Found under : Allyl esters ) |
| National Toxicology Program : | 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 nonanoate
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| (EINECS) number : | 231-334-7 |
| chemidplus : | 007493723 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 7493-72-3 |
| dtp/nci : | 20974 |
references :
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| | prop-2-enyl nonanoate
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| fl. number : | 09.109 |
| jecfa number : | 6 |
| NIST Chemistry WebBook : | 3415491280 |
| pubchem : | 197667 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| FDA Everything Added to Food in the United States (EAFUS) | View |