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| IUPAC name : | 2-methyldecanenitrile |
| InChI : | InChI=1/C11H21N/c1-3-4-5-6-7-8-9-11(2)10-12/h11H,3-9H2,1-2H3 |
| InChIKey : | XPCSGXMQGQGBKU-UHFFFAOYAX |
| SMILES : | CCCCCCCCC(C)C#N |
| cas number : | 69300-15-8 |
| (EINECS) number : | 273-960-3 |
| molar refractivity : | 52.88 ± 0.3 cm3 |
| parachor : | 475.4 ± 4.0 cm3 |
| index of refraction : | 1.432 ± 0.02 |
| surface tension : | 29.5 ± 3.0 dyne/cm |
| density : | 0.820 ± 0.06 g/cm3 |
| polarizability : | 20.96 ± 0.5 10-24cm3 |
| XlogP : | 4.60 |
| molecular weight : | 167.2911400 (IUPAC) |
| formula : | C11 H21 N |
| NMR Predictor : | Predict |
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| export tariff code : | 2926.90.0000 |
| fda reg : | unspecified |
Suppliers :
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| Givaudan : | Frutonile
Odor: Fruity, Peach, Lactonic Frutonile has an intense peach character with lactonic undertones. Frutonile is stable accross the whole pH range, allowing the perfumers to create a stable fruity effect at low concentration in any applications, including bleach system. |
| John D. Walsh : | Frutonile
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| Penta : | 2-methyldecanonitrile
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| Vigon : | FRUTONILE
Odor: Fruity, Peach, Lactonic |
organoleptics :
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| odor type : | fruity |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description: at 10.00 % in dipropylene glycol. | light peach fruity floral jasmin lactonic |
| substantivity : | 84 Hour(s) |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.81500 @ 20.00 °C.
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| refractive index : | 1.43000 @ 20.00 °C.
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| boiling point : | 247.00 °C. @ 760.00 mm Hg
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| flash point : | > 200.00 °F. TCC ( > 93.33 °C. )
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| logP (o/w) : | 4.15 |
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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| Category : | fragrance agents |
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| recommendation for peach nitrile fragrance usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for peach 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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| | 2-methyldecanenitrile |
| (EINECS) number : | 273-960-3 |
| chemidplus : | 069300158 |
| EPA Substance Registry Services : | 69300-15-8 |
references :
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| | 2-methyldecanenitrile |
| pubchem : | 3762479 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |