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| IUPAC name : | 3,3-dimethyl-1,5-dioxaspiro[5.5]undecane |
| InChI : | InChI=1/C11H20O2/c1-10(2)8-12-11(13-9-10)6-4-3-5-7-11/h3-9H2,1-2H3 |
| InChIKey : | QIFSGRPJUXQGMD-UHFFFAOYAR |
| SMILES : | CC1(COC2(CCCCC2)OC1)C |
| cas number : | 707-29-9 |
| (EINECS) number : | 211-898-0 |
| molar refractivity : | 52.38 ± 0.4 cm3 |
| parachor : | 444.8 ± 6.0 cm3 |
| index of refraction : | 1.474 ± 0.03 |
| surface tension : | 32.5 ± 5.0 dyne/cm |
| density : | 0.98 ± 0.1 g/cm3 |
| polarizability : | 20.76 ± 0.5 10-24cm3 |
| XlogP : | 2.60 |
| molecular weight : | 184.2753000 |
| formula : | C11 H20 O2 |
| BioActivity Analysis : | 72970 |
| NMR Predictor : | Predict |
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| export tariff code : | 2932.99.0000 |
| fda reg : | unspecified |
Suppliers :
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| John D. Walsh : | Thymoxane
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organoleptics :
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| odor type : | herbal |
| odor strength : | high , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | fresh thyme herbal leather tobacco animal sweet |
| odor sample from : | Bush Boake Allen Inc |
| substantivity : | 16 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 : | 0.98100 to 0.98400 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.172 to 8.197
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| refractive index : | 1.46100 to 1.46400 @ 20.00 °C.
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| boiling point : | 213.00 to 214.00 °C. @ 760.00 mm Hg
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| flash point : | 194.00 °F. TCC ( 90.00 °C. )
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| logP (o/w) : | 2.67 |
safety :
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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 thyme undecane usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for thyme 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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| | 3,3-dimethyl-1,5-dioxaspiro[5.5]undecane
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| (EINECS) number : | 211-898-0 |
| chemidplus : | 000707299 |
| EPA Substance Registry Services : | 707-29-9 |
| dtp/nci : | 7021 |
references :
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| | 3,3-dimethyl-1,5-dioxaspiro[5.5]undecane
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| pubchem : | 211902 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1985)¹ |
| CosIng : | cosmetic data |