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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 2-methyl-2-(phenylmethyl)but-3-enenitrile |
| InChI : | InChI=1/C12H13N/c1-3-12(2,10-13)9-11-7-5-4-6-8-11/h3-8H,1,9H2,2H3 |
| InChIKey : | UKLOORXNVRHFRM-UHFFFAOYAI |
| SMILES : | CC(CC1=CC=CC=C1)(C=C)C#N |
| (EINECS) number : | 407-870-4 |
| eu annex : | 608-031-00-7 |
| cas number : | 97384-48-0 |
| molar refractivity : | 53.93 ± 0.3 cm3 |
| parachor : | 435.4 ± 4.0 cm3 |
| index of refraction : | 1.522 ± 0.02 |
| surface tension : | 36.7 ± 3.0 dyne/cm |
| density : | 0.968 ± 0.06 g/cm3 |
| polarizability : | 21.38 ± 0.5 10-24cm3 |
| xlogp : | 3.00 |
| molecular weight : | 171.2383200 |
| formula : | C12 H13 N |
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| fda reg : | unspecified |
h. number : | 2926.90.0000 |
| organoleptics : | |
| odor type : | aldehydic |
| odor strength : | medium , recommend smelling in a 10.00 % solution or less |
odor description : at 10.00 % in dipropylene glycol. | aldehydic spicy herbal sweet |
| substantivity : | 376 Hour(s) |
| properties : | |
| appearence : | pale yellow clear oily liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.96100 - 0.97100 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.996 to 8.080
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| refractive index : | 1.51000 - 1.52000 @ 20.00 °C.
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| boiling point : | 285.00 - 286.00 °C. @ 760.00 mm Hg
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| logp : | 2.79 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 200.00 °F. TCC ( > 93.33 °C. )
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| recommendation for agrumen nitrile usage levels up to : |
| | 5.0000 % in the fragrance concentrate.
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| recommendation for agrumen nitrile usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 407-870-4 |
| chemidplus : | EE4078704 |
| epa-srs : | 97384-48-0 |
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| other : | |
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| references : | |
| pubchem : | 201961 |
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