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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 3-methyldodecanonitrile |
| InChI : | InChI=1/C13H25N/c1-3-4-5-6-7-8-9-10-13(2)11-12-14/h13H,3-11H2,1-2H3 |
| InChIKey : | ZKCZXPOYIUVRIV-UHFFFAOYAO |
| SMILES : | CCCCCCCCCC(C)CC#N |
| (EINECS) number : | 286-729-7 |
| cas number : | 85351-07-1 |
| molar refractivity : | 62.14 ± 0.3 cm3 |
| parachor : | 555.0 ± 4.0 cm3 |
| index of refraction : | 1.437 ± 0.02 |
| surface tension : | 30.1 ± 3.0 dyne/cm |
| density : | 0.824 ± 0.06 g/cm3 |
| polarizability : | 24.63 ± 0.5 10-24cm3 |
| xlogp : | 5.90 |
| molecular weight : | 195.3443000 |
| formula : | C13 H25 N |
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| fda reg : | unspecified |
h. number : | 2926.90.0000 |
| organoleptics : | |
| odor type : | citrus |
| odor strength : | medium ,
recommend smelling in a 1.00 % solution or less |
odor description :
at 1.00 % in dipropylene glycol. | orange green sea algae watery clean cloths oily |
| substantivity : | 140 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 96.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 284.00 - 285.00 °C. @ 760.00 mm Hg
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| logp : | 5.21 |
| shelf life : | 24.00 month(s) or longer if stored properly. |
| storage : | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 178.00 °F. TCC ( 81.11 °C. )
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| recommendation for orange nitrile usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for orange nitrile usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 286-729-7 |
| chemidplus : | 085351071 |
| epa-srs : | 85351-07-1 |
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| other : | |
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| references : | |
| pubchem : | 3778788 |
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