1-(1-Adamantyl)ethanol

HCID 2769713

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Basic information

CAS: 26750-08-3
Standard SMILES: CC(O)C12CC3CC(CC(C3)C1)C2
InChIKey: YALBLVPSPRKDJI-UHFFFAOYSA-N
Molecular formula: C12H20O
Average molar mass: 180.29 g/mol
Monoisotopic mass: 180.15141526

Names & identifiers

Preferred name: 1-(1-Adamantyl)ethanol
IUPAC: 1-(1-adamantyl)ethanol
English name: 1-(1-Adamantyl)ethanol
Molecular formula: C12H20O
Molecular weight: 180.29

Names & synonyms

1-(1-adamantyl)ethanol26750-08-3DTXSID00377845RefChem:222369DTXCID603288731-(Adamantan-1-yl)ethanol1-Adamantan-1-yl-ethanol1-(ADAMANTAN-1-YL)ETHAN-1-OL1-(1-hydroxyethyl)adamantane1-adamantylethanolMFCD013210951-adamantanylethan-1-ol

Show more names

AKOS BC-0646IFLAB-BB F0035-00081-((3r,5r,7r)-adamantan-1-yl)ethan-1-olTricyclo[3.3.1.13,7]decane-1-methanol, α-methyl-

F0035-0008tricyclo[3.3.1.1~3,7~]decane-1-methanol, alpha-methyl-adamantylethanoladamantan-1-ylethanolEnamine_0037221-Adamantylmethylmethanola-Methyl-1-adamantanemethanolSCHEMBL182779

Database identifiers

CAS: 26750-08-3
PubChem CID: 2769713
DTXSID: DTXSID00377845
Nikkaji: J3.639.054I、J522.871I

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 180

Physicochemical properties

Melting point: 75 · 75-77°C
Boiling point: 276.3 · 276.3±8.0 °C(Predicted)
Density: 1.077 · 1.077±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 15.58 · 15.58±0.20(Predicted)
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H302+H312+H332-H315
Precautionary statements: 280 · P280-P301+P312-P302+P352
HS Code: 2906190090 · 2906190090

Safety & regulation

Safety data

hs_code: 2906190090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H302+H312+H332-H315
Precautionary statements: P280-P301+P312-P302+P352

Chemistry & industry

Applications · 1 item

Uses1-(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.