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| IUPAC name : | cyclohexadecanone |
| InChI : | InChI=1/C16H30O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h1-15H2 |
| InChIKey : | LXJDKGYSHYYKFJ-UHFFFAOYAK |
| SMILES : | C1CCCCCCCC(=O)CCCCCCC1 |
| cas number : | 2550-52-9 |
| molar refractivity : | 73.91 ± 0.3 cm3 |
| parachor : | 646.5 ± 6.0 cm3 |
| index of refraction : | 1.440 ± 0.02 |
| surface tension : | 28.3 ± 3.0 dyne/cm |
| density : | 0.850 ± 0.06 g/cm3 |
| polarizability : | 29.30 ± 0.5 10-24cm3 |
| XlogP : | 5.30 |
| molecular weight : | 238.4088000 (IUPAC) |
| formula : | C16 H30 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Symrise : | Isomuscone®
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| Symrise : | Isomuscone®
50% DEP |
| Symrise : | Isomuscone®
50% IPM |
| Vigon : | Cyclohexadecanone Isomuscone
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| Vigon : | Isomuscone
50% in IPM |
organoleptics :
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| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | powdery musk |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | white to pale tan powder |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 72.00 to 76.00 °C. @ 760.00 mm Hg
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| boiling point : | 340.00 to 341.00 °C. @ 760.00 mm Hg
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| vapor density : | 8.3 ( Air = 1 ) |
| flash point : | 299.00 °F. TCC ( 148.33 °C. )
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| logP (o/w) : | 6.41 |
| 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) : | 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 - Wear suitable protective clothing.
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| Oral Toxicity(LD50) : |
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Oral-Rat >2000.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >2000.00 mg/kg
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for cyclohexadecanone usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for cyclohexadecanone usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | cyclohexadecanone
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| chemidplus : | 002550529 |
| EPA Substance Registry Services : | 2550-52-9 |
references :
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| | cyclohexadecanone
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| NIST Chemistry WebBook : | 583088953 |
| pubchem : | 217916 |
other :
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