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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | (3E)-3,7-dimethylocta-1,3,6-triene |
| InChI : | InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+ |
| InChIKey : | IHPKGUQCSIINRJ-CSKARUKUBC |
| SMILES : | CC(=CC\C=C(/C)\C=C)C |
| cas number : | 3779-61-1 |
| (EINECS) number : | 223-241-5 |
| molar refractivity : | 47.90 ± 0.3 cm3 |
| parachor : | 385.7 ± 4.0 cm3 |
| index of refraction : | 1.458 ± 0.02 |
| surface tension : | 23.3 ± 3.0 dyne/cm |
| density : | 0.776 ± 0.06 g/cm3 |
| polarizability : | 18.99 ± 0.5 10-24cm3 |
| XlogP : | 4.30 |
| molecular weight : | 136.2340400 |
| formula : | C10 H16 |
| 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 %. | sweet herbal |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 92.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 174.00 to 175.00 °C. @ 760.00 mm Hg
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| flash point : | 116.00 °F. TCC ( 46.67 °C. )
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| logP (o/w) : | 4.70 |
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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| recommendation for (E)-beta-ocimene usage levels up to : |
| | 3.0000 % in the fragrance concentrate.
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| recommendation for (E)-beta-ocimene 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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| | (3E)-3,7-dimethylocta-1,3,6-triene
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| (EINECS) number : | 223-241-5 |
| chemidplus : | 003779611 |
| EPA Substance Registry Services : | 3779-61-1 |
references :
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| | (3E)-3,7-dimethylocta-1,3,6-triene
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| NIST Chemistry WebBook : | 60136743 |
| pubchem : | 162513 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |