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| IUPAC name : | (5E)-2,6-dimethylocta-5,7-dien-4-one |
| InChI : | InChI=1/C10H16O/c1-5-9(4)7-10(11)6-8(2)3/h5,7-8H,1,6H2,2-4H3/b9-7+ |
| InChIKey : | RJXKHBTYHGBOKV-VQHVLOKHBY |
| SMILES : | CC(C)CC(=O)\C=C(/C)\C=C |
| cas number : | 6752-80-3 |
| (EINECS) number : | 229-813-0 |
| molar refractivity : | 47.99 ± 0.3 cm3 |
| parachor : | 404.8 ± 4.0 cm3 |
| index of refraction : | 1.447 ± 0.02 |
| surface tension : | 25.8 ± 3.0 dyne/cm |
| density : | 0.847 ± 0.06 g/cm3 |
| polarizability : | 19.02 ± 0.5 10-24cm3 |
| XlogP : | 2.80 |
| molecular weight : | 152.2334400 (IUPAC) |
| formula : | C10 H16 O |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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properties :
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| appearence : | pale yellow clear liquid |
| assay : | 96.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 222.00 to 223.00 °C. @ 760.00 mm Hg
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| flash point : | 187.00 °F. TCC ( 86.11 °C. )
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| logP (o/w) : | 2.55 |
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 : | natural substances and extractives |
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| recommendation for (E)-tagetone fragrance usage levels up to : |
| | not for fragrance use.
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| recommendation for (E)-tagetone flavor usage levels up to : |
| | not for flavor use.
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safety references :
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| EPI System : | view |
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| | (5E)-2,6-dimethylocta-5,7-dien-4-one |
| (EINECS) number : | 229-813-0 |
| chemidplus : | 006752803 |
| EPA Substance Registry Services : | 6752-80-3 |
references :
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| | (5E)-2,6-dimethylocta-5,7-dien-4-one |
| NIST Chemistry WebBook : | 3231029759 |
| pubchem : | 669986 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |