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| IUPAC name : | 6-propan-2-ylquinoline |
| InChI : | InChI=1/C12H13N/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12/h3-9H,1-2H3 |
| InChIKey : | NKCQEIXYLHACJC-UHFFFAOYAW |
| SMILES : | CC(C)C1=CC2=C(C=C1)N=CC=C2 |
| cas number : | 135-79-5 |
| (EINECS) number : | 205-220-2 |
| 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 |
| formula : | C12 H13 N |
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| IUPAC name : | 8-propan-2-ylquinoline |
| InChI : | InChI=1/C12H13N/c1-9(2)11-7-3-5-10-6-4-8-13-12(10)11/h3-9H,1-2H3 |
| InChIKey : | FAHUZGNYQXPESZ-UHFFFAOYAW |
| SMILES : | CC(C)C1=CC=CC2=C1N=CC=C2 |
| cas number : | 6457-30-3 |
| (EINECS) number : | 229-264-7 |
| 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 : | 3.30 |
| molecular weight : | 171.2383200 |
| formula : | C12 H13 N |
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| export tariff code : | 2933.40.7050 |
| fda reg : | unspecified |
Suppliers :
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| Bedoukian Research : | ISOPROPYL QUINOLINE
≥98.0%, Kosher Odor: vegetable leaf, earthy green |
| Berje : | isoPropyl Quinolene
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| Givaudan : | Isopropyl Quinoline
Odor: Leather, Woody, Moss |
| Penta : | isopropyl quinoline
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| Tokyo Chemical Industry : | 6-Isopropylquinoline
>97.0%(GC) |
organoleptics :
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| odor type : | green |
| odor strength : | high , recommend smelling in a 1.00 % solution or less |
odor description :¹ at 1.00 % in dipropylene glycol. | weedy green metallic earthy leafy cortex phenolic nutty |
| odor sample from : | Givaudan Corporation |
| substantivity : | 320 Hour(s) |
properties :
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| appearence : | yellow to brownish yellow liquid |
| assay : | 98.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.01900 to 1.02500 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.479 to 8.529
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| refractive index : | 1.58600 to 1.59300 @ 20.00 °C.
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| boiling point : | 100.00 °C. @ 0.50 mm Hg
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| vapor pressure : | 0.01330 mm/Hg @ 20.00 °C. |
| flash point : | 196.00 °F. TCC ( 91.11 °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 24 - Toxic in contact with skin. 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 isopropyl quinoline usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for isopropyl 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 |
| WISER : | UN 2810 |
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| WGK Germany : | 3 |
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| | 6-propan-2-ylquinoline
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| (EINECS) number : | 205-220-2 |
| chemidplus : | 000135795 |
| EPA Substance Registry Services : | 135-79-5 |
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| | 8-propan-2-ylquinoline
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| (EINECS) number : | 229-264-7 |
| chemidplus : | 006457303 |
| EPA Substance Registry Services : | 6457-30-3 |
references :
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| | 6-propan-2-ylquinoline
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| NIST Chemistry WebBook : | 2653439816 |
| pubchem : | 209392 |
| | 8-propan-2-ylquinoline
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| pubchem : | 657894 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| reference : | Luebke, William tgsc, (1989)¹ |
| CosIng : | cosmetic data |