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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | (3E)-trideca-3,12-dienenitrile |
| InChI : | InChI=1/C13H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2,10-11H,1,3-9,12H2/b11-10+ |
| InChIKey : | DBWSGRFEGVADLQ-ZHACJKMWBU |
| SMILES : | C=CCCCCCCC\C=C\CC#N |
| cas number : | 134769-33-8 |
| molar refractivity : | 61.97 ± 0.3 cm3 |
| parachor : | 533.8 ± 4.0 cm3 |
| index of refraction : | 1.462 ± 0.02 |
| surface tension : | 31.5 ± 3.0 dyne/cm |
| density : | 0.849 ± 0.06 g/cm3 |
| polarizability : | 24.56 ± 0.5 10-24cm3 |
| xlogp : | 5.30 |
| molecular weight : | 191.3125400 |
| formula : | C13 H21 N |
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| fda reg : | unspecified |
h. number : | 2926.90.50 |
| organoleptics : | |
| odor type : | citrus |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | sweet tangerine aldehydic fresh watery |
| substantivity : | 204 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.84900 - 0.85900 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.065 to 7.148
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| refractive index : | 1.45600 - 1.46300 @ 20.00 °C.
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| optical rotation : | -5.00 to +5.00
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| boiling point : | 111.00 - 117.00 °C. @ 15.00 mm Hg
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| logp : | 4.66 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for tangerine nitrile usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for tangerine nitrile usage levels up to : |
| | not for flavor use.
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| safety links : | |
| chemidplus : | 134769338 |
| epa-srs : | 134769-33-8 |
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| other : | |
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| references : | |
| pubchem : | 3889531 |
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