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| IUPAC name : | (3R,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene |
| InChI : | InChI=1/C20H34O/c1-7-18(4)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)21-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16+,18+,19-,20+/m1/s1 |
| InChIKey : | IGGWKHQYMAJOHK-QVHQYWGIBL |
| SMILES : | CC1(CCC[C@@]2([C@@H]1CC[C@]3([C@H]2CC[C@](O3)(C)C=C)C)C)C |
| cas number : | 596-84-9 |
| molar refractivity : | 91.59 ± 0.3 cm3 |
| parachor : | 748.9 ± 4.0 cm3 |
| index of refraction : | 1.505 ± 0.02 |
| surface tension : | 34.6 ± 3.0 dyne/cm |
| density : | 0.941 ± 0.06 g/cm3 |
| polarizability : | 36.31 ± 0.5 10-24cm3 |
| xlogp : | 7.00 |
| molecular weight : | 290.4833600 |
| formula : | C20 H34 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 : | 90.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 338.00 to 339.00 °C. @ 760.00 mm Hg
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| logp : | 7.18 |
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. ) : | 311.00 °F. TCC ( 155.00 °C. )
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safety references :
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| EPI System : | view |
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| | (3R,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
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| chemidplus : | 000596849 |
| EPA Substance Registry Services : | 596-84-9 |
| NLM Chemical Carcinogenesis Research Information System : | 596-84-9 |
| NLM Developmental and Reproductive Toxicity : | 596-84-9 |
| NLM Env. Mutagen Info. Center : | 596-84-9 |
| NLM GENetic TOXicology : | 596-84-9 |
references :
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| | (3R,4aS,6aR,10aR,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyl-2,5,6,6a,8,9,10,10b-octahydro-1H-benzo[f]chromene
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| pubchem : | 3727543 |
other :
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synonyms :
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| (13R)-8,13- | epoxylabd-14-ene | | (3R- (3alpha,4abeta, 6aalpha,10abeta, 10balpha))-3- | ethenyl dodecahydro-3,4a,7,7,10a-pentamethyl-1H-naphtho(2,1-b)pyran | | | manool oxide | | | manoyl oxide | | (+)- | manoyl oxide |
soluble in :
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| | alcohol |
insoluble in :
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| | water |
(odor and/or flavor) used in :
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| | ambergris |
natural occurrence in :
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| data page | cistus oil @ 0.3% |
| data page | clary sage oil greece @ 0.10% |
| data page | clary sage oil spain @ trace% |
| data page | cypress oil @ 0.12-0.20% |
| data page | kewda oil @ trace-0.17% |
| data page | mangrove bark red oil cuba @ 29.90% |
| data page | savin oil @ 0.38% |
| data page | witch hazel leaf oil @ 0.03% |
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