Introduction：Basic information about CAS 161970-71-4|(3S,6S)-2,7-DIMETHYL-3,6-OCTANEDIOL, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (3S,6S)-2,7-DIMETHYL-3,6-OCTANEDIOL |
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| CAS Number | 161970-71-4 | Molecular Weight | 279.33300 |
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| Density | 1.26g/cm3 | Boiling Point | 471.7ºC at 760mmHg |
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| Molecular Formula | C18H17NO2 | Melting Point | 78ºC |
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| MSDS | / | Flash Point | 239.1ºC |
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Names
| Name | (3S,7aS)-3,7a-diphenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.26g/cm3 |
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| Boiling Point | 471.7ºC at 760mmHg |
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| Melting Point | 78ºC |
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| Molecular Formula | C18H17NO2 |
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| Molecular Weight | 279.33300 |
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| Flash Point | 239.1ºC |
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| Exact Mass | 279.12600 |
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| PSA | 29.54000 |
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| LogP | 3.17120 |
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| Vapour Pressure | 4.57E-09mmHg at 25°C |
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| Index of Refraction | 1.65 |
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| InChIKey | DKQMLBIEOBOMDP-AEFFLSMTSA-N |
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| SMILES | O=C1CCC2(c3ccccc3)OCC(c3ccccc3)N12 |
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Safety Information
| Hazard Codes | Xn,Xi |
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| Risk Phrases | R20/21/22 |
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| Safety Phrases | S36/37 |
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Synonyms
| (3S-cis)-(+)-Tetrahydro-3,7a-diphenylpyrrolo[2,1-b]oxazol-5(6H)-one |
| (5S,7aS)-5,7a-diphenyl-2,5,6,7,7a-pentahydro-7-oxapyrrolizin-3-one |
| MFCD00274329 |
