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| IUPAC name : | octanenitrile |
| InChI : | InChI=1/C8H15N/c1-2-3-4-5-6-7-8-9/h2-7H2,1H3 |
| InChIKey : | YSIMAPNUZAVQER-UHFFFAOYAQ |
| SMILES : | CCCCCCCC#N |
| (EINECS) number : | 204-682-2 |
| cas number : | 124-12-9 |
| beilstein number : | 1744063 |
| molar refractivity : | 39.02 ± 0.3 cm3 |
| parachor : | 358.7 ± 4.0 cm3 |
| index of refraction : | 1.420 ± 0.02 |
| surface tension : | 29.4 ± 3.0 dyne/cm |
| density : | 0.813 ± 0.06 g/cm3 |
| polarizability : | 15.47 ± 0.5 10-24cm3 |
| xlogp : | 3.10 |
| molecular weight : | 125.2114000 |
| formula : | C8 H15 N |
| BioActivity Analysis : | 71615 |
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| fda reg : | unspecified |
h. number : | 2926.90.0000 |
| organoleptics : | |
| odor strength : | medium ,
recommend smelling in a 10.00 % solution or less |
odor description :
at 10.00 % in dipropylene glycol. | fatty aldehydic green |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.81200 - 0.81600 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.757 to 6.790
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| refractive index : | 1.41800 - 1.42200 @ 20.00 °C.
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| melting point : | -45.00 °C. @ 760.00 mm Hg
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| boiling point : | 198.00 - 200.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 2.75 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Mouse 1764.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 165.00 °F. TCC ( 73.89 °C. )
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| recommendation for octane nitrile usage levels up to : |
| | not for fragrance use.
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| recommendation for octane nitrile usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 204-682-2 |
| rtecs : | RG9700300 for 124-12-9 |
| chemidplus : | 000124129 |
| epa-srs : | 124-12-9 |
| dtp/nci : | 5513 |
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| other : | |
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| references : | |
| pubchem : | 173335 |
| NIST Chemistry WebBook : | 2677312374 |
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