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| IUPAC name : | 9-ethylidene-3-oxatricyclo(6.2.1.02,7)undecane-4-one |
| InChI : | InChI=1/C12H16O2/c1-2-7-5-8-6-10(7)9-3-4-11(13)14-12(8)9/h2,8-10,12H,3-6H2,1H3/b7-2+ |
| InChIKey : | LLVFKEOMLYDSGT-FARCUNLSBR |
| SMILES : | C\C=C\1/CC2CC1C3C2OC(=O)CC3 |
| cas number : | 69486-14-2 |
| molar refractivity : | 54.83 ± 0.3 cm3 |
| parachor : | 423.3 ± 6.0 cm3 |
| index of refraction : | 1.592 ± 0.02 |
| surface tension : | 46.7 ± 3.0 dyne/cm |
| density : | 1.187 ± 0.06 g/cm3 |
| polarizability : | 21.74 ± 0.5 10-24cm3 |
| XlogP : | 1.90 |
| molecular weight : | 192.2542400 |
| formula : | C12 H16 O2 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Firmenich : | FLOREX®
≥90% Odor: Very tenacious balsamic, tonka-like and woody note. It has a sweet-astringent character and suggests tobacco and coconut with a green nuance. |
organoleptics :
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| odor type : | tonka |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | sweet spicy balsam tonka woody tobacco green |
| odor sample from : | Firmenich & Company Inc. |
| substantivity : | 336 hour(s) at 100.00 % |
properties :
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| appearence : | colorless clear liquid |
| assay : | 94.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.10600 to 1.11300 @ 20.00 °C.
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| pounds per gallon - calc. : | 9.214 to 9.272
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| refractive index : | 1.51800 to 1.52200 @ 20.00 °C.
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| boiling point : | 332.00 to 333.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 0.09000 mm/Hg @ 20.00 °C. |
| flash point : | 283.00 °F. TCC ( 139.44 °C. )
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| logP (o/w) : | 2.60 |
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 tonka undecanone usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for tonka undecanone 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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| | 9-ethylidene-3-oxatricyclo(6.2.1.02,7)undecane-4-one
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| chemidplus : | 069486142 |
| EPA Substance Registry Services : | 69486-14-2 |
references :
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| | 9-ethylidene-3-oxatricyclo(6.2.1.02,7)undecane-4-one
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| pubchem : | 689420 |
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 |