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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 3-(4-ethylphenyl)-2,2-dimethylpropanenitrile |
| InChI : | InChI=1/C13H17N/c1-4-11-5-7-12(8-6-11)9-13(2,3)10-14/h5-8H,4,9H2,1-3H3 |
| InChIKey : | NWMCCMGWYCKNJR-UHFFFAOYAX |
| SMILES : | CCC1=CC=C(C=C1)CC(C)(C)C#N |
| (EINECS) number : | 412-660-0 |
| cas number : | 134123-93-6 |
| molar refractivity : | 59.12 ± 0.3 cm3 |
| parachor : | 483.2 ± 4.0 cm3 |
| index of refraction : | 1.509 ± 0.02 |
| surface tension : | 35.4 ± 3.0 dyne/cm |
| density : | 0.945 ± 0.06 g/cm3 |
| polarizability : | 23.44 ± 0.5 10-24cm3 |
| xlogp : | 3.10 |
| molecular weight : | 187.2807800 |
| formula : | C13 H17 N |
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| fda reg : | unspecified |
h. number : | 2926.90.0000 |
| organoleptics : | |
| odor type : | herbal |
| odor strength : | medium |
odor description :
at 100.00 %. | herbal anisic ozone fresh air marine |
| substantivity : | 304 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.93900 - 0.94600 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.813 to 7.872
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| refractive index : | 1.50300 - 1.50700 @ 20.00 °C.
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| boiling point : | 311.00 - 312.00 °C. @ 760.00 mm Hg
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| logp : | 3.50 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Oral-Rat >2000.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rat >2000.00 mg/kg
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| flash point ( Deg. F. ) : | 201.00 °F. TCC ( 93.89 °C. )
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| recommendation for floral nitrile usage levels up to : |
| | 10.0000 % in the fragrance concentrate.
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| recommendation for floral nitrile usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 412-660-0 |
| chemidplus : | 134123936 |
| epa-srs : | 134123-93-6 |
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| other : | |
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| references : | |
| pubchem : | 741793 |
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