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| IUPAC name : | 6-methylquinoline |
| InChI : | InChI=1/C10H9N/c1-8-4-5-10-9(7-8)3-2-6-11-10/h2-7H,1H3 |
| InChIKey : | LUYISICIYVKBTA-UHFFFAOYAD |
| SMILES : | CC1=CC2=C(C=C1)N=CC=C2 |
| cas number : | 91-62-3 |
| (EINECS) number : | 202-084-6 |
| beilstein number : | 0110336 |
| fema number : | 2744 |
| coe number : | 2339 |
| jecfa number : | 1302 |
| fl. number : | 14.042 |
| molar refractivity : | 47.01 ± 0.3 cm3 |
| parachor : | 342.8 ± 4.0 cm3 |
| index of refraction : | 1.624 ± 0.02 |
| surface tension : | 44.1 ± 3.0 dyne/cm |
| density : | 1.076 ± 0.06 g/cm3 |
| polarizability : | 18.63 ± 0.5 10-24cm3 |
| XlogP : | 2.60 |
| molecular weight : | 143.1851600 |
| formula : | C10 H9 N |
| BioActivity Analysis : | 17389818 |
| NMR Predictor : | Predict |
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| export tariff code : | 2933.40.7050 |
| fda reg : | unspecified |
Suppliers :
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| Penta : | 6-methyl quinoline
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| Sigma-Aldrich-SAFC : | 6-Methylquinoline
≥98%, FG |
| Tokyo Chemical Industry : | 6-Methylquinoline
>98.0%(GC) |
organoleptics :
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| odor type : | animal |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description :¹ at 1.00 % in dipropylene glycol. | leather tonka castoreum tobacco civet fecal |
| odor sample from : | International Flavors & Fragrances Inc. |
| substantivity : | 400 Hour(s) |
properties :
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| appearence : | pale yellow to amber brown clear liquid |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.06000 to 1.06600 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.820 to 8.870
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| specific gravity : | 1.06300 to 1.07100 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.856 to 8.922
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| refractive index : | 1.61100 to 1.61700 @ 20.00 °C.
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| boiling point : | 259.00 to 261.00 °C. @ 760.00 mm Hg
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| flash point : | > 230.00 °F. TCC ( > 110.00 °C. )
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| logP (o/w) : | 2.57 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 40 - Limited evidence of a carcinogenic effect. 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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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| Human experience : | 2 % solution: no irritation or sensitization. |
| Oral Toxicity(LD50) : |
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Oral-Rat 800.00 mg/kg (Soviet Toxicologic Center, 1984)
Oral-Rat 1260.00 mg/kg (Moreno, 1976y)
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| Dermal Toxicity(LD50) : |
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Skin-Rabbit 5000.00 mg/kg FCTXAV 17,871,1979
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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) : | 3.40 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) : | 0.01 (μg/capita/day) |
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| recommendation for 6-methyl quinoline usage levels up to : |
| | 1.0000 % in the fragrance concentrate.
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| recommendation for 6-methyl quinoline usage levels up to : |
| | 2.0000 ppm in the flavor.
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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 |
| Chemical Carcinogenesis Research Information System : | Search |
| Cancer Citations : | Search |
| Toxicology Citations : | Search |
| Carcinogenic Potency Database : | Search |
| EPA GENetic TOXicology : | Search |
| Env. Mutagen Info. Center : | Search |
| National Toxicology Program : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 3 |
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| | 6-methylquinoline
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| (EINECS) number : | 202-084-6 |
| RTECS : | VC0550000 for 91-62-3 |
| chemidplus : | 000091623 |
| EPA/NOAA CAMEO : | hazardous materials |
| EPA Substance Registry Services : | 91-62-3 |
| dtp/nci : | 4152 |
references :
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| | 6-methylquinoline
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| fl. number : | 14.042 |
| jecfa number : | 1302 |
| NIST Chemistry WebBook : | 1115011846 |
| pubchem : | 150088 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1990)¹ |
| CosIng : | cosmetic data |
| VCF-Online: | VCF Volatile Compounds in Food |