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| IUPAC name : | (4E,6E)-2,6-dimethylocta-2,4,6-triene |
| InChI : | InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5+ |
| InChIKey : | GQVMHMFBVWSSPF-SOYUKNQTBP |
| SMILES : | C\C=C(/C)\C=C\C=C(C)C |
| (EINECS) number : | 221-153-1 |
| cas number : | 3016-19-1 |
| molar refractivity : | 48.23 ± 0.3 cm3 |
| parachor : | 384.0 ± 4.0 cm3 |
| index of refraction : | 1.466 ± 0.02 |
| surface tension : | 23.6 ± 3.0 dyne/cm |
| density : | 0.782 ± 0.06 g/cm3 |
| polarizability : | 19.12 ± 0.5 10-24cm3 |
| xlogp : | 4.10 |
| molecular weight : | 136.2340400 |
| formula : | C10 H16 |
| BioActivity Analysis : | 476183 |
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| fda reg : | unspecified |
h. number : | 2901.29.00.11 |
| organoleptics : | |
| odor type : | terpenic |
| odor strength : | medium |
odor description :
at 100.00 %. | terpene sweet fresh floral |
| substantivity : | 120 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 80.00 - 90.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.79100 - 0.81000 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.582 to 6.740
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| refractive index : | 1.53500 - 1.54500 @ 20.00 °C.
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| boiling point : | 188.00 - 198.00 °C. @ 760.00 mm Hg
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| logp : | 4.56 |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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| Oral Toxicity(LD50) : |
Oral-Rat 1900.00 mg/kg
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| Dermal Toxicity(LD50) : |
Skin-Rabbit 3400.00 mg/kg
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| flash point ( Deg. F. ) : | 125.00 °F. TCC ( 51.67 °C. )
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| recommendation for (E,E)-2,6-allo-ocimene usage levels up to : | | | 5.0000 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 221-153-1 |
| rtecs : | RH2010000 for 3016-19-1 |
| chemidplus : | 003016191 |
| epa-srs : | 3016-19-1 |
| dtp/nci : | 406263 |
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| other : | |
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| references : | |
| pubchem : | 684612 |
| NIST Chemistry WebBook : | 1703109443 |
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| synonyms : |
| (4E,6E)-2,6- | dimethyl octa-2,4,6-triene | | (E,E)-2,6- | dimethyl octa-2,4,6-triene | | (E)-2,(E)-6- | dimethyl octa-2,4,6-triene | | trans,trans-2,6- | dimethyl-2,4,6-octatriene | | (4E,6E)-allo- | ocimene | | (E,E)-2,6-allo- | ocimene | | (E)-2,(E)-6-allo- | ocimene | | trans-2,trans-6-allo- | ocimene | | trans,trans-2,6-allo- | ocimene |
| soluble in : |
| | alcohol |
| insoluble in : |
| | water |
| (odor and/or flavor) used in : |
| | christmas blends | | | herbal |
| natural occurrence in : |
| not found in nature |
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