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| IUPAC name : | tetradecanenitrile |
| InChI : | InChI=1/C14H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-13H2,1H3 |
| InChIKey : | MLRCLPRHEOPXLL-UHFFFAOYAZ |
| SMILES : | CCCCCCCCCCCCCC#N |
| cas number : | 629-63-0 |
| (EINECS) number : | 211-099-7 |
| molar refractivity : | 66.82 ± 0.3 cm3 |
| parachor : | 597.4 ± 4.0 cm3 |
| index of refraction : | 1.441 ± 0.02 |
| surface tension : | 31.0 ± 3.0 dyne/cm |
| density : | 0.827 ± 0.06 g/cm3 |
| polarizability : | 26.49 ± 0.5 10-24cm3 |
| XlogP : | 5.30 |
| molecular weight : | 209.3708800 |
| formula : | C14 H27 N |
| BioActivity Analysis : | 67777 |
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| export tariff code : | 2926.90.0000 |
| fda reg : | unspecified |
organoleptics :
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| odor type : | fresh |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description :¹ at 10.00 % in dipropylene glycol. | fresh clean orangeflower green wet |
| odor sample from : | Roure Bertrand Dupont Inc. |
| substantivity : | 308 Hour(s) |
properties :
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| appearence : | tan powder |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 17.00 to 19.00 °C. @ 760.00 mm Hg
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| boiling point : | 304.00 to 305.00 °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) : | 5.93 |
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 clean nitrile usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for clean 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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| | tetradecanenitrile
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| (EINECS) number : | 211-099-7 |
| chemidplus : | 000629630 |
| EPA Substance Registry Services : | 629-63-0 |
| dtp/nci : | 910 |
references :
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| | tetradecanenitrile
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| NIST Chemistry WebBook : | 165610070 |
| pubchem : | 206608 |
other :
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| reference : | Luebke, William tgsc, (1985)¹ |
| VCF-Online: | VCF Volatile Compounds in Food |