HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-(1-Adamantyl)ethanol
AKOS BC-0646 · IFLAB-BB F0035-0008 · 1-(1-Adamantyl)ethanol · 1-Adamantan-1-yl-ethanol · 1-(1-HYDROXYETHYL)ADAMANTANE · 1-((3r,5r,7r)-adamantan-1-yl)ethan-1-ol · Tricyclo[3.3.1.13,7]decane-1-methanol, α-methyl-
Identifiers & Physical Properties
| CAS No. | 26750-08-3 |
|---|---|
| Molecular formula | C12H20O |
| Average molar mass | 180.29 g/mol |
| Monoisotopic mass | 180.15141526 g/mol |
| SMILES | CC(O)C12CC3CC(CC(C3)C1)C2 |
| InChIKey | YALBLVPSPRKDJI-UHFFFAOYSA-N |
| PubChem CID | 2769713 |
| DTXSID | DTXSID00377845 |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 180 |
| Melting point | 75-77°C |
| Boiling point | 276.3±8.0 °C(Predicted) |
| Density | 1.077±0.06 g/cm3(Predicted) |
| Storage conditions | 2-8°C |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| pKa (acidity coefficient) | 15.58±0.20(Predicted) |
| Color | White |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H319-H335-H302+H312+H332-H315 |
| GHS precautionary statements | P280-P301+P312-P302+P352 |
| Customs code | 2906190090 |
Safety & Regulations
| Customs code | 2906190090 |
|---|---|
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H319-H335-H302+H312+H332-H315 |
| GHS precautionary statements | P280-P301+P312-P302+P352 |
Applications & Uses
Uses
1-(1-Adamantyl)ethanol is patented for use to catalyze the change of the load state of MHC molecules and possible use in treatment and diagnosis of cancer, infectious diseases, and autoimmune diseases. It also shows inhibitory action against herpes simplex virus type 1, vaccinia virus, vesicular stomatitis virus, fowl plaque virus, respiratory syncytial virus, and Venezuelan encephalitis virus.