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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 |
| Molar Refractivity : | 53.06 ± 0.3 cm3 (est) |
| Parachor : | 479.9 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.432 ± 0.02 (est) |
| Surface Tension : | 30.4 ± 3.0 dyne/cm (est) |
| Density : | 0.901 ± 0.06 g/cm3 (est) |
| Polarizability : | 21.03 ± 0.5 10-24cm3 (est) |
| XlogP : | 3.40 (est) |
| XlogP3-AA : | 3.10 (est) |
| Molecular Weight : | 184.2753000 (IUPAC) (PT) (112) |
| Formula : | C11 H20 O2 |
| NMR Predictor : | Predict |
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| Category : | flavor and fragrance agents |
EU / EUROPA / FDA / JECFA Information :
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| JECFA Food Flavoring : | 417
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| Fl@vouring Number : | 07.021
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| FDA Mainterm : | 2,3-UNDECADIONE. |
| FDA Regulation. : | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants.
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Suppliers :
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| Nanjing : | 2,3-undecadione
orders in chinese. |
| 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 |
Odor Description:
| Waxy, aldehydic, slightly rancid, creamy and fatty with dairy and vegetative nuances Mosciano, Gerard P&F 22, No. 3, 47, (1997) |
Taste Description:
| creamy coconut milky |
Taste Description: at 2.50 ppm. | Aldehydic, creamy, buttery and dairy-like with waxy, rancid and fat nuances Mosciano, Gerard P&F 22, No. 3, 47, (1997) |
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 Ppoint : | 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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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.0037 (μg/capita/day) |
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| Recommendation for acetyl nonyryl fragrance usage levels up to : |
| | 0.1000 % in the fragrance concentrate.
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| Recommendation for acetyl nonyryl flavor 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 |
| (EINECS) Number : | 231-330-5 |
| Chemidplus : | 007493596 |
| EPA Substance Registry Services : | 7493-59-6 |
References :
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| | undecane-2,3-dione |
| Pubchem : | 197661 |
Other :
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| FDA Everything Added to Food in the United States (EAFUS) | View |