| Identification | Back Directory | [Name]
1,3,5-ADAMANTANETRIOL | [CAS]
99181-50-7 | [Synonyms]
1,3,5-ADAMANTANETRIOL
AdaMantane-1,3,5-triol
1,3,5-Adamantanetriol >
1,3,5-TRIHYDROXYADAMANTANE
Tricyclo[3.3.1.13,7]decane-1,3,5-triol | [Molecular Formula]
C10H16O3 | [MDL Number]
MFCD08276262 | [MOL File]
99181-50-7.mol | [Molecular Weight]
184.23 |
| Chemical Properties | Back Directory | [Melting point ]
203-207 °C | [Boiling point ]
339.7±37.0 °C(Predicted) | [density ]
1.606±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [pka]
14.03±0.60(Predicted) | [color ]
White to Almost white | [InChI]
InChI=1S/C10H16O3/c11-8-1-7-2-9(12,4-8)6-10(13,3-7)5-8/h7,11-13H,1-6H2 | [InChIKey]
MCYBYTIPMYLHAK-UHFFFAOYSA-N | [SMILES]
C12(O)CC3(O)CC(CC(O)(C3)C1)C2 | [CAS DataBase Reference]
99181-50-7 |
| Hazard Information | Back Directory | [Chemical Properties]
1,3,5-Adamantanetriol is chemically stable and is not susceptible to chemical reactions under normal conditions. The chemical reactivity of the substance is focused on the three reactive hydroxyl groups in its structure, which have equivalent chemical reaction sites. Despite the presence of three equivalent hydroxyl groups, it has been shown that it is possible to selectively halogenate one of the hydroxyl groups, thereby introducing different functional groups into the molecule to expand its chemical diversity. In addition, due to the nucleophilicity of the hydroxyl group, the substance can be acylated with chlorinated compounds to give the corresponding ester derivatives. | [Uses]
Adamantane-1,3,5-triol is an intermediate for the synthesis of adamantane-based trimeric cationic surfactants and other adamantane polyhydric alcohols. |
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