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| IUPAC name : | 3,7-dimethylnona-2,6-dienenitrile |
| InChI : | InChI=1/C11H17N/c1-4-10(2)6-5-7-11(3)8-9-12/h6,8H,4-5,7H2,1-3H3 |
| InChIKey : | DHJVLXVXNFUSMU-UHFFFAOYAX |
| SMILES : | CCC(=CCCC(=CC#N)C)C |
| cas number : | 61792-11-8 |
| (EINECS) number : | 263-214-5 |
| molar refractivity : | 52.72 ± 0.3 cm3 |
| parachor : | 444.8 ± 4.0 cm3 |
| index of refraction : | 1.466 ± 0.02 |
| surface tension : | 29.8 ± 3.0 dyne/cm |
| density : | 0.857 ± 0.06 g/cm3 |
| polarizability : | 20.90 ± 0.5 10-24cm3 |
| XlogP : | 3.20 |
| molecular weight : | 163.2593800 (IUPAC) |
| formula : | C11 H17 N |
| NMR Predictor : | Predict |
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| export tariff code : | 2926.90.0000 |
| fda reg : | unspecified |
Suppliers :
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| Givaudan : | Lemonile®
Odor: Intense, Lemon, Cologne Lemonile is used in lemon, verbena and lime compositions where it imparts freshness and diffusion. This nitrile is an extremely powerful chemical and has excellent stability in alkaline media. More natural and long lasting than Geranitrile T. |
| Penta : | 3,7-dimethyl-2,6-nonadiene nitrile
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| Vigon : | Lemonile
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organoleptics :
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| odor type : | citrus |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description: at 10.00 % in dipropylene glycol. | lemon cologne metallic |
| substantivity : | 400 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 |
| boiling point : | 266.00 to 267.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.01300 mm/Hg @ 20.00 °C. |
| flash point : | 203.00 °F. TCC ( 95.00 °C. )
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| logP (o/w) : | 3.90 |
safety :
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| most important hazard(s) : | None - None found. |
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S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.
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| Oral Toxicity(LD50) : | |
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Oral-Rat 2600.00 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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| Category : | fragrance agents |
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| recommendation for homogeranyl nitrile fragrance usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for homogeranyl nitrile flavor 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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| | 3,7-dimethylnona-2,6-dienenitrile |
| (EINECS) number : | 263-214-5 |
| chemidplus : | 061792118 |
| EPA Substance Registry Services : | 61792-11-8 |
references :
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| | 3,7-dimethylnona-2,6-dienenitrile |
| pubchem : | 689710 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |