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| IUPAC name : | (2E,6E,10E)-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one |
| InChI : | InChI=1/C15H22O/c1-12-6-5-7-13(2)14(16)9-11-15(3,4)10-8-12/h7-9,11H,5-6,10H2,1-4H3/b11-9+,12-8+,13-7+ |
| InChIKey : | GIHNTRQPEMKFKO-SKTNYSRSBH |
| SMILES : | C/C/1=C\CC(\C=C\C(=O)/C(=C/CC1)/C)(C)C |
| cas number : | 471-05-6 |
| molar refractivity : | 68.40 ± 0.3 cm3 |
| parachor : | 558.1 ± 6.0 cm3 |
| index of refraction : | 1.468 ± 0.02 |
| surface tension : | 26.5 ± 3.0 dyne/cm |
| density : | 0.887 ± 0.06 g/cm3 |
| polarizability : | 27.11 ± 0.5 10-24cm3 |
| xlogp : | 4.10 |
| molecular weight : | 218.3345800 |
| formula : | C15 H22 O |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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organoleptics :
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properties :
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| assay : | 92.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 321.00 - 322.00 °C. @ 760.00 mm Hg
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| logp : | 5.34 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 272.00 °F. TCC ( 133.33 °C. )
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safety links :
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| chemidplus : | 000471056 |
| epa-srs : | 471-05-6 |
| dtp/nci : | 698299 |
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other :
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references :
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| pubchem : | 699398 |
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| synonyms : |
| (E,E,E)-2,6,9,9- | tetramethyl cycloundeca-2,6,10-trien-1-one | | trans,trans,trans-2,6,9,9- | tetramethyl cycloundeca-2,6,10-trien-1-one | | (E,E,E)-2,6,9,9- | tetramethyl-2,6,10-cycloundecatrien-1-one | | | zerumbone |
| soluble in : |
| | alcohol |
| insoluble in : |
| | water |
| natural occurrence in : |
| alpinia galanga |
| data page | curcuma amada roxb. rhizome oil india @ 0.20% |
| data page | kachur oil @ 12.60% |
| zingiber aromaticum |
| data page | zingiber zerumbet (l.) sm. root oil india |
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