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| IUPAC name : | 2-methyl-1,5-dioxaspiro[5.5]undecane |
| InChI : | InChI=1/C10H18O2/c1-9-5-8-11-10(12-9)6-3-2-4-7-10/h9H,2-8H2,1H3 |
| InChIKey : | AUXQNFDMCKINEC-UHFFFAOYAI |
| SMILES : | CC1CCOC2(O1)CCCCC2 |
| cas number : | 6413-26-9 |
| (EINECS) number : | 229-115-6 |
| molar refractivity : | 47.72 ± 0.4 cm3 |
| parachor : | 406.4 ± 6.0 cm3 |
| index of refraction : | 1.473 ± 0.03 |
| surface tension : | 32.6 ± 5.0 dyne/cm |
| density : | 1.00 ± 0.1 g/cm3 |
| polarizability : | 18.92 ± 0.5 10-24cm3 |
| XlogP : | 2.40 |
| molecular weight : | 170.2487200 |
| formula : | C10 H18 O2 |
| BioActivity Analysis : | 99703 |
| NMR Predictor : | Predict |
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| export tariff code : | 2932.99.0000 |
| fda reg : | unspecified |
Suppliers :
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| IFF : | Spirodecane
≥95% (major peak) Odor: A cost effective herbal, campherous top note with a thujone-like character |
organoleptics :
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| odor type : | herbal |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | herbal eucalyptus woody |
| substantivity : | 6 hour(s) at 100.00 % |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99000 to 0.99600 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.238 to 8.288
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| refractive index : | 1.46000 to 1.46400 @ 20.00 °C.
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| boiling point : | 207.00 to 208.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.32300 mm/Hg @ 25.00 °C. |
| flash point : | 171.00 °F. TCC ( 77.22 °C. )
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| logP (o/w) : | 3.54 |
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 37/39 - Wear suitable gloves and eye/face protection.
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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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| recommendation for herbal undecane usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for herbal undecane 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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| | 2-methyl-1,5-dioxaspiro[5.5]undecane
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| (EINECS) number : | 229-115-6 |
| chemidplus : | 006413269 |
| EPA Substance Registry Services : | 6413-26-9 |
| dtp/nci : | 46270 |
references :
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| | 2-methyl-1,5-dioxaspiro[5.5]undecane
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| pubchem : | 675077 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |