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| IUPAC name : | 2-propylpyridine |
| InChI : | InChI=1/C8H11N/c1-2-5-8-6-3-4-7-9-8/h3-4,6-7H,2,5H2,1H3 |
| InChIKey : | OIALIKXMLIAOSN-UHFFFAOYAH |
| SMILES : | CCCC1=CC=CC=N1 |
| cas number : | 622-39-9 |
| (EINECS) number : | 210-732-4 |
| fema number : | 4065 |
| coe number : | 14143 |
| jecfa number : | 1322 |
| fl. number : | 14.164 |
| molar refractivity : | 38.52 ± 0.3 cm3 |
| parachor : | 317.8 ± 4.0 cm3 |
| index of refraction : | 1.495 ± 0.02 |
| surface tension : | 33.6 ± 3.0 dyne/cm |
| density : | 0.918 ± 0.06 g/cm3 |
| polarizability : | 15.27 ± 0.5 10-24cm3 |
| XlogP : | 1.90 |
| molecular weight : | 121.1796400 |
| formula : | C8 H11 N |
| BioActivity Analysis : | 67833 |
| NMR Predictor : | Predict |
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| export tariff code : | 2933.39.4700 |
| fda reg : | unspecified |
Suppliers :
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| Endeavour : | 2-Propylpyridine
98% |
| Penta : | 2-propyl pyridine
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| Sigma-Aldrich-SAFC : | 2-Propylpyridine
97+ % Odor: green; minty; floral |
| Treatt : | 2-Propylpyridine
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organoleptics :
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| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | tobacco nutty |
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 |
| specific gravity : | 0.90700 to 0.91700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.547 to 7.630
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| refractive index : | 1.49000 to 1.49600 @ 20.00 °C.
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| melting point : | 2.00 to 3.00 °C. @ 760.00 mm Hg
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| boiling point : | 169.00 to 171.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| vapor pressure : | 2.29000 mm/Hg @ 25.00 °C. |
| flash point : | 133.00 °F. TCC ( 56.11 °C. )
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| logP (o/w) : | 2.33 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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.
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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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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | ND (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.90 (μg/capita/day) |
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| recommendation for 2-propyl pyridine usage levels up to : |
| | not for fragrance use.
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| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link. |
| publication number : 21 |
| | average usual ppm | average maximum ppm |
| baked goods : | 0.60000 | 1.00000 |
| beverages(nonalcoholic) : | 0.20000 | 0.40000 |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 0.30000 | 0.50000 |
| fruit ices : | - | - |
| gelatins / puddings : | 0.30000 | 0.60000 |
| granulated sugar : | - | - |
| gravies : | 0.30000 | 0.60000 |
| hard candy : | 0.40000 | 0.80000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 0.20000 | 0.40000 |
| milk products : | - | - |
| nut products : | 0.30000 | 0.60000 |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 0.30000 | 0.60000 |
| snack foods : | 0.30000 | 0.60000 |
| soft candy : | 0.30000 | 0.60000 |
| soups : | 0.20000 | 0.40000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| NLM Developmental and Reproductive Toxicity : | Search |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 1993 |
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| WGK Germany : | 3 |
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| | 2-propylpyridine
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| (EINECS) number : | 210-732-4 |
| chemidplus : | 000622399 |
| EPA Substance Registry Services : | 622-39-9 |
| dtp/nci : | 966 |
references :
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| | 2-propylpyridine
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| fl. number : | 14.164 |
| jecfa number : | 1322 |
| NIST Chemistry WebBook : | 1993545614 |
| pubchem : | 000622399 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |