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| IUPAC name : | 6-nonyloxan-2-one |
| InChI : | InChI=1/C14H26O2/c1-2-3-4-5-6-7-8-10-13-11-9-12-14(15)16-13/h13H,2-12H2,1H3 |
| InChIKey : | SKQYTJLYRIFFCO-UHFFFAOYAF |
| SMILES : | CCCCCCCCCC1CCCC(=O)O1 |
| cas number : | 2721-22-4 |
| (EINECS) number : | 220-334-2 |
| fema number : | 3590 |
| coe number : | 2196 |
| jecfa number : | 238 |
| fl. number : | 10.016 |
| molar refractivity : | 66.55 ± 0.3 cm3 |
| parachor : | 584.7 ± 6.0 cm3 |
| index of refraction : | 1.451 ± 0.02 |
| surface tension : | 31.3 ± 3.0 dyne/cm |
| density : | 0.916 ± 0.06 g/cm3 |
| polarizability : | 26.38 ± 0.5 10-24cm3 |
| XlogP : | 5.40 |
| molecular weight : | 226.3550400 |
| formula : | C14 H26 O2 |
| NMR Predictor : | Predict |
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| export tariff code : | 2932.29.6000 |
| fda reg : | unspecified |
Suppliers :
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| Citrus and Allied Essences : | delta-tetradecalactone
FCC |
| Givaudan : | delta-Tetradecalactone
≥98%, NI, Kosher Odor: Fatty,Creamy,Oily,Buttery,Sweet milky |
| Penta : | delta-tetradecalactone
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| Polarome : | delta-TETRADECALACTONE
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| Sigma-Aldrich-SAFC : | delta-Tetradecalactone
≥98%, Kosher, FG Odor: creamy; waxy |
organoleptics :
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| odor type : | waxy |
| odor strength : | medium |
odor description : at 100.00 %. | waxy creamy oil fatty sweet milky dairy |
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 : | 0.93100 to 0.93700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.747 to 7.797
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| refractive index : | 1.45900 to 1.46500 @ 20.00 °C.
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| boiling point : | 130.00 to 135.00 °C. @ 5.00 mm Hg
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| acid value : | 2.00 max. KOH/g
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| flash point : | 235.00 °F. TCC ( 112.78 °C. )
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| logP (o/w) : | 4.54 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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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) : | 110.00 (μg/capita/day) |
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| recommendation for delta-tetradecalactone usage levels up to : |
| | 0.5000 % in the fragrance concentrate.
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| recommendation for delta-tetradecalactone usage levels up to : |
| | 40.0000 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 |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 6-nonyloxan-2-one
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| (EINECS) number : | 220-334-2 |
| chemidplus : | 002721224 |
| EPA Substance Registry Services : | 2721-22-4 |
references :
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| | 6-nonyloxan-2-one
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| fl. number : | 10.016 |
| jecfa number : | 238 |
| NIST Chemistry WebBook : | 2325112284 |
| pubchem : | 203885 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |