Introduction：Basic information about CAS 24405-57-0|(4aR)-4a,5,6,7,8,8a-Hexahydro-4aα-hydroxy-6α-isopropenyl-4,8aα-dime, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (4aR)-4a,5,6,7,8,8a-Hexahydro-4aα-hydroxy-6α-isopropenyl-4,8aα-dimethylnaphthalene-2(1H)-one |
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| CAS Number | 24405-57-0 | Molecular Weight | 234.33 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 351.4±42.0 °C at 760 mmHg |
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| Molecular Formula | C15H22O2 | Melting Point | 118-119℃ |
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| MSDS | / | Flash Point | 149.7±20.5 °C |
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Names
| Name | (4aR,6R,8aS)-4a-hydroxy-4,8a-dimethyl-6-(prop-1-en-2-yl)-4a,5,6,7,8,8a-hexahydronaphthalen-2(1H)-one |
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| Synonym | More Synonyms |
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BiologicalActivity
| Description | β-Rotunol ((+)-β-Rotunol) is a natural product, that can be isolated from Cyperus rotundus[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. Ahn JH, et al. 6-Acetoxy Cyperene, a Patchoulane-type Sesquiterpene Isolated from Cyperus rotundus Rhizomes Induces Caspase-dependent Apoptosis in Human Ovarian Cancer Cells. Phytother Res. 2015 Sep;29(9):1330-1338. |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 351.4±42.0 °C at 760 mmHg |
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| Melting Point | 118-119℃ |
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| Molecular Formula | C15H22O2 |
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| Molecular Weight | 234.33 |
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| Flash Point | 149.7±20.5 °C |
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| Exact Mass | 234.161987 |
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| PSA | 37.30000 |
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| LogP | 2.70 |
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| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
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| Index of Refraction | 1.536 |
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| InChIKey | WDFLKCAWQQMJCA-UHFFFAOYSA-N |
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| SMILES | C=C(C)C1CCC2(C)CC(=O)C=C(C)C2(O)C1 |
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Safety Information
Synonyms
| 2(1H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-4a-hydroxy-4,8a-dimethyl-6-(1-methylethenyl)-, (4aR,6R,8aS)- |
| (4aR,6R,8aS)-4a-Hydroxy-6-isopropenyl-4,8a-dimethyl-4a,5,6,7,8,8a-hexahydro-2(1H)-naphthalenone |
