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| IUPAC name : | 3-(2-methylpropyl)pyridine |
| InChI : | InChI=1/C9H13N/c1-8(2)6-9-4-3-5-10-7-9/h3-5,7-8H,6H2,1-2H3 |
| InChIKey : | DEGXTCKEZCCZOP-UHFFFAOYAH |
| SMILES : | CC(C)CC1=CN=CC=C1 |
| (EINECS) number : | 238-003-6 |
| cas number : | 14159-61-6 |
| fema number : | 3371 |
| coe number : | 11396 |
| jecfa number : | 1312 |
| fl. number : | 14.059 |
| molar refractivity : | 43.11 ± 0.3 cm3 |
| parachor : | 354.9 ± 4.0 cm3 |
| index of refraction : | 1.491 ± 0.02 |
| surface tension : | 32.3 ± 3.0 dyne/cm |
| density : | 0.908 ± 0.06 g/cm3 |
| polarizability : | 17.09 ± 0.5 10-24cm3 |
| xlogp : | 2.50 |
| molecular weight : | 135.2062200 |
| formula : | C9 H13 N |
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| fda reg : | unspecified |
h. number : | 2933.39.9050 |
| organoleptics : | |
| odor type : | aromatic |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in dipropylene glycol. | strong aromatic |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.89800 - 0.90400 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.472 to 7.522
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| refractive index : | 1.48800 - 1.49400 @ 20.00 °C.
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| boiling point : | 68.00 - 69.00 °C. @ 8.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 2.60 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 153.00 °F. TCC ( 67.22 °C. )
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| recommendation for 3-isobutyl pyridine usage levels up to : |
| | 0.0200 % in the fragrance concentrate.
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| recommendation for 3-isobutyl pyridine usage levels up to : |
| | 1.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 238-003-6 |
| chemidplus : | 014159616 |
| epa-srs : | 14159-61-6 |
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| other : | |
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| references : | |
| pubchem : | 198102 |
| NIST Chemistry WebBook : | 3223849026 |
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