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| IUPAC name : | decanenitrile |
| InChI : | InChI=1/C10H19N/c1-2-3-4-5-6-7-8-9-10-11/h2-9H2,1H3 |
| InChIKey : | HBZDPWBWBJMYRY-UHFFFAOYAE |
| SMILES : | CCCCCCCCCC#N |
| cas number : | 1975-78-6 |
| (EINECS) number : | 217-830-6 |
| molar refractivity : | 48.29 ± 0.3 cm3 |
| parachor : | 438.2 ± 4.0 cm3 |
| index of refraction : | 1.429 ± 0.02 |
| surface tension : | 30.1 ± 3.0 dyne/cm |
| density : | 0.819 ± 0.06 g/cm3 |
| polarizability : | 19.14 ± 0.5 10-24cm3 |
| XlogP : | 3.70 |
| molecular weight : | 153.2645600 |
| formula : | C10 H19 N |
| BioActivity Analysis : | 6085 |
| NMR Predictor : | Predict |
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| export tariff code : | 2926.90.9590 |
| fda reg : | unspecified |
organoleptics :
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| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | fresh musty fatty waxy oily cognac |
| odor sample from : | Synarome Corporation |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.81300 to 0.82800 @ 20.00 °C.
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| pounds per gallon - calc. : | 6.773 to 6.898
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| refractive index : | 1.42800 to 1.43200 @ 20.00 °C.
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| boiling point : | 242.00 to 244.00 °C. @ 760.00 mm Hg
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| acid value : | 2.00 max. KOH/g
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| flash point : | 197.00 °F. TCC ( 91.67 °C. )
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| logP (o/w) : | 3.78 |
safety :
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| most important hazard(s) : | Xn N - Harmful, Dangerous for the environment. |
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R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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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 decane nitrile usage levels up to : |
| | 0.5000 % in the fragrance concentrate.
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| recommendation for decane nitrile 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 : | 3 |
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| | decanenitrile
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| (EINECS) number : | 217-830-6 |
| chemidplus : | 001975786 |
| EPA Substance Registry Services : | 1975-78-6 |
| dtp/nci : | 6085 |
references :
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| | decanenitrile
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| NIST Chemistry WebBook : | 724284753 |
| pubchem : | 217018 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1995)¹ |
| CosIng : | cosmetic data |