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| IUPAC name : | 3,5-dimethylcyclohex-3-ene-1-carbonitrile |
| InChI : | InChI=1/C9H13N/c1-7-3-8(2)5-9(4-7)6-10/h3,7,9H,4-5H2,1-2H3 |
| InChIKey : | PHYAMLKALRTMOP-UHFFFAOYAO |
| SMILES : | CC1CC(CC(=C1)C)C#N |
| cas number : | 66848-40-6 |
| (EINECS) number : | 266-497-3 |
| molar refractivity : | 41.24 ± 0.4 cm3 |
| parachor : | 350.0 ± 6.0 cm3 |
| index of refraction : | 1.473 ± 0.03 |
| surface tension : | 32.2 ± 5.0 dyne/cm |
| density : | 0.92 ± 0.1 g/cm3 |
| polarizability : | 16.35 ± 0.5 10-24cm3 |
| XlogP : | 2.00 |
| molecular weight : | 135.2062200 (IUPAC) |
| formula : | C9 H13 N |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor strength : | medium |
odor description: at 100.00 %. | tonka |
properties :
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| appearence : | colorless to yellow clear liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 221.00 to 223.00 °C. @ 760.00 mm Hg
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| flash point : | 169.00 °F. TCC ( 76.11 °C. )
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| logP (o/w) : | 2.38 |
safety :
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| Oral Toxicity(LD50) : | |
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Not determined
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| Dermal Toxicity(LD50) : | |
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Not determined
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| Inhalation Toxicity(LC50) : | |
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Not determined
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safety in use :
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| Category : | fragrance agents |
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| recommendation for tonkavert fragrance usage levels up to : |
| | 2.0000 % in the fragrance concentrate.
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| recommendation for tonkavert flavor usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| | 3,5-dimethylcyclohex-3-ene-1-carbonitrile |
| (EINECS) number : | 266-497-3 |
| chemidplus : | 066848406 |
| EPA Substance Registry Services : | 66848-40-6 |
references :
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| | 3,5-dimethylcyclohex-3-ene-1-carbonitrile |
| pubchem : | 683921 |
Cosmetics :
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| Cosmetic uses : |
perfuming agents
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other :
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| CosIng : | cosmetic data |