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| IUPAC name : | 2-(2-methylpropyl)quinoline |
| InChI : | InChI=1/C13H15N/c1-10(2)9-12-8-7-11-5-3-4-6-13(11)14-12/h3-8,10H,9H2,1-2H3 |
| InChIKey : | FAQVGPWFQGGIPP-UHFFFAOYAT |
| SMILES : | CC(C)CC1=NC2=CC=CC=C2C=C1 |
| cas number : | 93-19-6 |
| (EINECS) number : | 202-227-2 |
| beilstein number : | 0117444 |
| molar refractivity : | 60.96 ± 0.3 cm3 |
| parachor : | 458.8 ± 4.0 cm3 |
| index of refraction : | 1.580 ± 0.02 |
| surface tension : | 39.5 ± 3.0 dyne/cm |
| density : | 1.012 ± 0.06 g/cm3 |
| polarizability : | 24.13 ± 0.5 10-24cm3 |
| XlogP : | 3.80 |
| XlogP3 : | 3.80 |
| molecular weight : | 185.2649000 (IUPAC) |
| formula : | C13 H15 N |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
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| Givaudan : | Isobutyl Quinoline-2
Odor: Leather, Woody, Powerful |
| Nanjing : | 2-isobutylquinoline
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| Vigon : | Isobutyl Quinoline
Odor: LEATHERY, WOODY, POWERFUL |
organoleptics :
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| odor type : | animal |
| odor strength : | high , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | leather woody |
| substantivity : | 160 Hour(s) |
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 |
| boiling point : | 277.00 to 278.00 °C. @ 760.00 mm Hg
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| vapor pressure : | 0.00130 mm/Hg @ 20.00 °C. |
| flash point : | 232.00 °F. TCC ( 111.11 °C. )
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| logP (o/w) : | 3.95 |
safety :
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| most important hazard(s) : | Xi - Irritant |
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R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37 - Wear suitable protective clothing and gloves.
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| Oral Toxicity(LD50) : |
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Oral-Rat 1020.00 mg/kg Food and Cosmetics Toxicology. Vol. 14, Pg. 311, 1976.
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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 2-isobutyl quinoline usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for 2-isobutyl quinoline 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 : | 2 |
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| | 2-(2-methylpropyl)quinoline
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| (EINECS) number : | 202-227-2 |
| chemidplus : | 000093196 |
| EPA Substance Registry Services : | 93-19-6 |
references :
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| | 2-(2-methylpropyl)quinoline
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| NIST Chemistry WebBook : | 3734724499 |
| pubchem : | 150167 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |