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| IUPAC name : | tridec-2-enenitrile |
| InChI : | InChI=1/C13H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-12H,2-10H2,1H3 |
| InChIKey : | WKSPQBFDRTUGEF-UHFFFAOYAW |
| SMILES : | CCCCCCCCCCC=CC#N |
| cas number : | 22629-49-8 |
| (EINECS) number : | 245-142-6 |
| molar refractivity : | 62.24 ± 0.3 cm3 |
| parachor : | 544.8 ± 4.0 cm3 |
| index of refraction : | 1.453 ± 0.02 |
| surface tension : | 31.4 ± 3.0 dyne/cm |
| density : | 0.840 ± 0.06 g/cm3 |
| polarizability : | 24.67 ± 0.5 10-24cm3 |
| XlogP : | 5.90 |
| molecular weight : | 193.3284200 (IUPAC) |
| formula : | C13 H23 N |
| NMR Predictor : | Predict |
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| export tariff code : | 2926.90.0000 |
| fda reg : | unspecified |
Suppliers :
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| Givaudan : | Tridecene-2-Nitrile
Odor: Citrus, Tangerine, Aldehydic |
| Moellhausen : | ozonil
nature identical kosher Odor: powerful nausty, fatty aldehydic; on extreme dilution had mandarine note and sea breeze nuance |
| Penta : | 2-tridecenonitrile
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| Symrise : | Ozonil
Odor: heavy, complex citrus note, reminiscent of mandarine peel. Fruity, floral, aldehydic, waxy, sea breeze nuances |
| Vigon : | Ozonil
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| Vigon : | TRIDECENE-2-NITRILE GIVAUDAN
Odor: FLORAL, ALDEHYDIC, CITRUS |
organoleptics :
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| odor type : | citrus |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description :¹ at 1.00 % in dipropylene glycol. | citrus waxy mandarin skin fresh aldehydic sea breeze |
| odor sample from : | Quest International |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.83200 to 0.83800 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.923 to 6.973
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| refractive index : | 1.45100 to 1.45400 @ 20.00 °C.
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| boiling point : | 288.00 to 289.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| flash point : | > 212.00 °F. TCC ( > 100.00 °C. )
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| logP (o/w) : | 5.49 |
safety :
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| most important hazard(s) : | Xi N - Irritant, Dangerous for the environment. |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. 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 waxy nitrile usage levels up to : |
| | 0.5000 % in the fragrance concentrate.
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| recommendation for waxy 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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| | tridec-2-enenitrile
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| (EINECS) number : | 245-142-6 |
| chemidplus : | 022629498 |
| EPA Substance Registry Services : | 22629-49-8 |
references :
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| | tridec-2-enenitrile
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| pubchem : | 667570 |
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 |