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| IUPAC name : | 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene |
| InChI : | InChI=1/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3 |
| InChIKey : | GYUZHTWCNKINPY-UHFFFAOYAD |
| SMILES : | CC1CCC2(O1)C(=CCCC2(C)C)C |
| cas number : | 36431-72-8 |
| (EINECS) number : | 253-031-9 |
| beilstein number : | 1424383 |
| fema number : | 3774 |
| coe number : | 10515 |
| jecfa number : | 1238 |
| fl. number : | 13.098 |
| molar refractivity : | 59.56 ± 0.4 cm3 |
| parachor : | 486.4 ± 6.0 cm3 |
| index of refraction : | 1.488 ± 0.03 |
| surface tension : | 30.7 ± 5.0 dyne/cm |
| density : | 0.94 ± 0.1 g/cm3 |
| polarizability : | 23.61 ± 0.5 10-24cm3 |
| XlogP : | 2.80 |
| molecular weight : | 194.3131800 (IUPAC) |
| formula : | C13 H22 O |
| pherobase floral: | view |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Apple : | Theaspirane,2,6,10,10-Tetramethyl-1-oxaspiro[4,5]dec-6-one
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| Frutarom : | THEASPIRAN
≥85.00% (sum of isomers), NI, Kosher Odor: Green, Herbal, Metallic, Spicy, Woody Suggested Uses: Blackberry, Citrus Fruits, Herbal Flavours, Raspberry, Soft Fruits, Tea, Vanilla |
| Givaudan : | Spiroxide
≥85%, NI, Kosher Odor: Green,Fruity,Woody,Champhorated This strong chemical demonstrates camphoraceous fresh fruity notes. |
| Penta : | theaspirane
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| SAFC Global® : | (±)-Theaspirane
≥85% (mixture of cis and trans), Kosher Odor: berry; green; woody; minty; vanilla; wine-like |
organoleptics :
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| odor type : | herbal |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description: at 1.00 % in dipropylene glycol. | tea herbal green wet tobacco leaf metallic woody spicy Luebke, William tgsc, (1991) |
| odor sample from : | Givaudan Corporation |
odor description:
| Woody, cooling, minty and camphoreous, with a fresh green herbal nuance Mosciano, Gerard P&F 15, No. 6, 35, (1990) |
taste description: at 10.00 ppm. | Cooling minty, camphoraceous, with an herbal and piney nuance Mosciano, Gerard P&F 15, No. 6, 35, (1990) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.93400 to 0.94400 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.772 to 7.855
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| refractive index : | 1.48000 to 1.49500 @ 20.00 °C.
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| boiling point : | 68.00 to 72.00 °C. @ 3.00 mm Hg
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| boiling point : | 274.00 to 275.00 °C. @ 760.00 mm Hg
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| vapor density : | 6.6 ( Air = 1 ) |
| flash point : | 149.00 °F. TCC ( 65.00 °C. )
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| logP (o/w) : | 4.14 |
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 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/39 - Wear suitable clothing 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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| Category : | flavor and fragrance agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 1.70 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.10 (μg/capita/day) |
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| recommendation for theaspirane fragrance usage levels up to : |
| | 0.5000 % in the fragrance concentrate.
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| recommendation for theaspirane flavor usage levels up to : |
| | 10.0000 ppm in the flavor.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene |
| (EINECS) number : | 253-031-9 |
| chemidplus : | 036431728 |
| EPA Substance Registry Services : | 36431-72-8 |
references :
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| Leffingwell : | chirality |
| | 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-ene |
| fl. number : | 13.098 |
| jecfa number : | 1238 |
| NIST Chemistry WebBook : | 1601872106 |
| pubchem : | 198362 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |