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| IUPAC name : | 1-methoxy-1-methylcyclododecane |
| InChI : | InChI=1/C14H28O/c1-14(15-2)12-10-8-6-4-3-5-7-9-11-13-14/h3-13H2,1-2H3 |
| InChIKey : | QACBYNLZEUNZSC-UHFFFAOYAX |
| SMILES : | CC1(CCCCCCCCCCC1)OC |
| cas number : | 37514-30-0 |
| (EINECS) number : | 253-534-3 |
| beilstein number : | 2238172 |
| molar refractivity : | 66.57 ± 0.4 cm3 |
| parachor : | 577.8 ± 6.0 cm3 |
| index of refraction : | 1.450 ± 0.03 |
| surface tension : | 29.6 ± 5.0 dyne/cm |
| density : | 0.85 ± 0.1 g/cm3 |
| polarizability : | 26.39 ± 0.5 10-24cm3 |
| XlogP : | 5.70 |
| XlogP3-AA : | 5.30 |
| molecular weight : | 212.3715200 (IUPAC) |
| formula : | C14 H28 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Givaudan : | Madrox®
Odor: Woody, Tobacco, Ambery, Warm |
| Nanjing : | 1-methoxy-1-methyl-cyclododecane
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| Penta : | 1-methylcyclododecyl methyl ether
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organoleptics :
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| odor type : | woody |
| odor strength : | medium |
odor description :¹ at 100.00 %. | woody celery musk ambergris old wood |
| odor sample from : | Givaudan Corporation |
| substantivity : | 28 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 95.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.92100 @ 25.00 °C.
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| refractive index : | 1.48000 @ 20.00 °C.
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| boiling point : | 248.00 to 249.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.00800 mm/Hg @ 20.00 °C. |
| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 5.91 |
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 >5000.00 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 81S, 1992.
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 5000.00 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 81S, 1992.
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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 amber dodecane usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for amber dodecane 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-methoxy-1-methylcyclododecane
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| (EINECS) number : | 253-534-3 |
| chemidplus : | 037514300 |
| EPA Substance Registry Services : | 37514-30-0 |
references :
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| | 1-methoxy-1-methylcyclododecane
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| pubchem : | 739478 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1986)¹ |
| CosIng : | cosmetic data |