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| IUPAC name : | methoxycyclododecane |
| InChI : | InChI=1/C13H26O/c1-14-13-11-9-7-5-3-2-4-6-8-10-12-13/h13H,2-12H2,1H3 |
| InChIKey : | WDSOYUINLRIGNV-UHFFFAOYAL |
| SMILES : | COC1CCCCCCCCCCC1 |
| cas number : | 2986-54-1 |
| (EINECS) number : | 221-053-8 |
| molar refractivity : | 61.91 ± 0.4 cm3 |
| parachor : | 539.5 ± 6.0 cm3 |
| index of refraction : | 1.447 ± 0.03 |
| surface tension : | 29.5 ± 5.0 dyne/cm |
| density : | 0.85 ± 0.1 g/cm3 |
| polarizability : | 25.54 ± 0.5 10-24cm3 |
| XlogP : | 5.30 |
| molecular weight : | 198.3449400 |
| formula : | C13 H26 O |
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| export tariff code : | 2909.20.00 |
| fda reg : | unspecified |
Suppliers :
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| Penta : | methyl cyclododecyl ether
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| Symrise : | Palisandin
Odor: woody, cedarwood-like, with earthy patchouli and tobacco accents |
organoleptics :
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| odor type : | woody |
| odor strength : | medium |
odor description :¹ at 100.00 %. | cedar woody dry musk amber patchouli tobacco |
| odor sample from : | Harrmann & Reimer Corporation |
| substantivity : | 76 Hour(s) |
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 : | No |
| specific gravity : | 0.91000 to 0.91500 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.572 to 7.614
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| refractive index : | 1.47200 to 1.47500 @ 20.00 °C.
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| melting point : | 8.00 to 10.00 °C. @ 760.00 mm Hg
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| boiling point : | 96.00 to 100.00 °C. @ 2.00 mm Hg
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| flash point : | 248.00 °F. TCC ( 120.00 °C. )
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| logP (o/w) : | 5.36 |
safety :
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| most important hazard(s) : | Xi N - Irritant, Dangerous for the environment. |
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R 36/38 - Irritating to skin and eyes. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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 37/39 - Wear suitable gloves and eye/face protection. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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| Oral Toxicity(LD50) : |
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Oral-Mouse >2000.00 mg/kg
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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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| recommendation for woody ether usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for woody ether 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 |
| WISER : | UN 3082 |
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| WGK Germany : | 2 |
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| | methoxycyclododecane
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| (EINECS) number : | 221-053-8 |
| chemidplus : | 002986541 |
| EPA Substance Registry Services : | 2986-54-1 |
references :
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| | methoxycyclododecane
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| NIST Chemistry WebBook : | 2604006832 |
| pubchem : | 653415 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1987)¹ |
| CosIng : | cosmetic data |