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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | (9Z)-9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecane |
| InChI : | InChI=1/C12H18O/c1-2-8-6-9-7-11(8)10-4-3-5-13-12(9)10/h2,9-12H,3-7H2,1H3/b8-2- |
| InChIKey : | UBALJTRHSDXCPY-WAPJZHGLBM |
| SMILES : | C\C=C/1\CC2CC1C3C2OCCC3 |
| cas number : | 93939-86-7 |
| (EINECS) number : | 300-376-9 |
| molar refractivity : | 54.70 ± 0.3 cm3 |
| parachor : | 418.2 ± 6.0 cm3 |
| index of refraction : | 1.575 ± 0.02 |
| surface tension : | 40.8 ± 3.0 dyne/cm |
| density : | 1.077 ± 0.06 g/cm3 |
| polarizability : | 21.68 ± 0.5 10-24cm3 |
| XlogP : | 2.20 |
| molecular weight : | 178.2707200 |
| formula : | C12 H18 O |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 100.00 %. | floral fruity rhubarb costus woody rooty |
| odor sample from : | Firmenich & Company Inc. |
| substantivity : | 48 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 257.00 to 259.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.01000 mm/Hg @ 20.00 °C. |
| vapor density : | 6.2 ( Air = 1 ) |
| flash point : | > 200.00 °F. TCC ( > 93.33 °C. )
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| logP (o/w) : | 3.04 |
safety :
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| Oral Toxicity(LD50) : |
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Oral-Rat >5000.00 mg/kg
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit >5000.00 mg/kg
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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 rhubarb pyran usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for rhubarb pyran 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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| | (9Z)-9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecane
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| (EINECS) number : | 300-376-9 |
| chemidplus : | 093939867 |
| EPA Substance Registry Services : | 93939-86-7 |
references :
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| | (9Z)-9-ethylidene-3-oxatricyclo[6.2.1.02,7]undecane
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| pubchem : | 741086 |
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 |