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| IUPAC name : | 1,6-dioxacycloheptadecan-7-one |
| InChI : | InChI=1/C15H28O3/c16-15-11-7-5-3-1-2-4-6-8-12-17-13-9-10-14-18-15/h1-14H2 |
| InChIKey : | MRMOPGVGWFNHIN-UHFFFAOYAA |
| SMILES : | C1CCCCCOCCCCOC(=O)CCCC1 |
| cas number : | 6707-60-4 |
| (EINECS) number : | 229-755-6 |
| beilstein number : | 0158802 |
| molar refractivity : | 72.51 ± 0.3 cm3 |
| parachor : | 647.2 ± 6.0 cm3 |
| index of refraction : | 1.430 ± 0.02 |
| surface tension : | 28.4 ± 3.0 dyne/cm |
| density : | 0.915 ± 0.06 g/cm3 |
| polarizability : | 28.74 ± 0.5 10-24cm3 |
| XlogP : | 4.30 |
| molecular weight : | 256.3810200 (IUPAC) |
| formula : | C15 H28 O3 |
| BioActivity Analysis : | 92210 |
| NMR Predictor : | Predict |
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| export tariff code : | 2932.29.6000 |
| fda reg : | unspecified |
Suppliers :
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| Givaudan : | Cervolide
Odor: Musky, Powdery |
| John D. Walsh : | Cervolide
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| Penta : | 12-oxahexadecanolide
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| Vigon : | CERVOLIDE
Odor: SWEET, TENACIOUS, INTENSE MUSK |
organoleptics :
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| odor type : | musk |
| odor strength : | medium |
odor description :¹ at 100.00 %. | musk woody sweet brassylate fruity |
| odor sample from : | International Flavors & Fragrances Inc. |
| substantivity : | 92 Hour(s) |
properties :
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| appearence : | colorless clear slightly viscous liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.97800 to 0.98600 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.138 to 8.205
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| specific gravity : | 0.97900 to 0.98700 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.156 to 8.222
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| refractive index : | 1.46600 to 1.47000 @ 20.00 °C.
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| boiling point : | 409.00 to 410.00 °C. @ 760.00 mm Hg
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| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 3.68 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. 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 >5000.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 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 musk decanolide usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for musk decanolide usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 1,6-dioxacycloheptadecan-7-one
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| (EINECS) number : | 229-755-6 |
| RTECS : | EO2975000 for 6707-60-4 |
| chemidplus : | 006707604 |
| EPA Substance Registry Services : | 6707-60-4 |
| dtp/nci : | 34741 |
references :
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| | 1,6-dioxacycloheptadecan-7-one
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| pubchem : | 165754 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1984)¹ |
| CosIng : | cosmetic data |