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| IUPAC name : | undecane-2,3-dione |
| InChI : | InChI=1/C11H20O2/c1-3-4-5-6-7-8-9-11(13)10(2)12/h3-9H2,1-2H3 |
| InChIKey : | RMMFUALOIIVORL-UHFFFAOYAZ |
| SMILES : | CCCCCCCCC(=O)C(=O)C |
| cas number : | 7493-59-6 |
| (EINECS) number : | 231-330-5 |
| fema number : | 3090 |
| coe number : | 155 |
| jecfa number : | 417 |
| fl. number : | 07.021 |
| molar refractivity : | 53.06 ± 0.3 cm3 |
| parachor : | 479.9 ± 4.0 cm3 |
| index of refraction : | 1.432 ± 0.02 |
| surface tension : | 30.4 ± 3.0 dyne/cm |
| density : | 0.901 ± 0.06 g/cm3 |
| polarizability : | 21.03 ± 0.5 10-24cm3 |
| XlogP : | 3.40 |
| XlogP3-AA : | 3.10 |
| molecular weight : | 184.2753000 (IUPAC) |
| formula : | C11 H20 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | 172.515 |
Suppliers :
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| Nanjing : | 2,3-undecadione
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| Penta : | acetyl nonyryl
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organoleptics :
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| odor type : | aldehydic |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | waxy aldehydic creamy fatty dairy |
properties :
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| appearence : | yellow clear oily liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 109.00 to 111.00 °C. @ 10.00 mm Hg
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| flash point : | 189.00 °F. TCC ( 87.22 °C. )
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| logP (o/w) : | 2.39 |
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) : | 0.0037 (μg/capita/day) |
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| recommendation for acetyl nonyryl usage levels up to : |
| | 0.1000 % in the fragrance concentrate.
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| recommendation for acetyl nonyryl usage levels up to : |
| | 2.5000 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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| WGK Germany : | 3 |
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| | undecane-2,3-dione
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| (EINECS) number : | 231-330-5 |
| chemidplus : | 007493596 |
| EPA Substance Registry Services : | 7493-59-6 |
references :
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| | undecane-2,3-dione
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| fl. number : | 07.021 |
| jecfa number : | 417 |
| pubchem : | 197661 |
other :
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| FDA Everything Added to Food in the United States (EAFUS) | View |