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| IUPAC name : | 4-propan-2-ylquinoline |
| InChI : | InChI=1/C12H13N/c1-9(2)10-7-8-13-12-6-4-3-5-11(10)12/h3-9H,1-2H3 |
| InChIKey : | HFYWOOUKPVJGBA-UHFFFAOYAN |
| SMILES : | CC(C)C1=CC=NC2=CC=CC=C12 |
| cas number : | 1333-53-5 |
| (EINECS) number : | 215-595-4 |
| fl. number : | 14.153 |
| molar refractivity : | 56.37 ± 0.3 cm3 |
| parachor : | 420.2 ± 4.0 cm3 |
| index of refraction : | 1.590 ± 0.02 |
| surface tension : | 40.2 ± 3.0 dyne/cm |
| density : | 1.026 ± 0.06 g/cm3 |
| polarizability : | 22.34 ± 0.5 10-24cm3 |
| XlogP : | 3.50 |
| molecular weight : | 171.2383200 (IUPAC) |
| formula : | C12 H13 N |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Vigon : | Isopropyl Quinoline
Odor: EARTHY, WOODY, ROOT-LIKE |
organoleptics :
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| odor strength : | medium , recommend smelling in a 1.00 % solution or less |
odor description : at 1.00 % in dipropylene glycol. | green metallic earthy leafy |
properties :
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| appearence : | pale yellow to yellow clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 277.00 to 279.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.01000 mm/Hg @ 20.00 °C. |
| vapor density : | >1 ( Air = 1 ) |
| flash point : | 238.00 °F. TCC ( 114.44 °C. )
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| logP (o/w) : | 3.42 |
safety :
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| most important hazard(s) : | T - Toxic. |
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R 22 - Harmful if swallowed. R 38 - Irritating to skin. 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.
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| Oral Toxicity(LD50) : |
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Oral-Rat 940.00 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 821, 1975.
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 160.00 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 821, 1975.
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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 4-isopropyl quinoline usage levels up to : |
| | 0.2000 % in the fragrance concentrate.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 2810 |
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| WGK Germany : | 3 |
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| | 4-propan-2-ylquinoline
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| (EINECS) number : | 215-595-4 |
| chemidplus : | 001333535 |
| EPA Substance Registry Services : | 1333-53-5 |
references :
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| | 4-propan-2-ylquinoline
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| fl. number : | 14.153 |
| pubchem : | 216236 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |