Basic Information | Post buying leads | Suppliers |
Name |
Ketone, hydroxymethyl 1-phenyl-3-adamantyl |
EINECS | N/A |
CAS No. | 73599-93-6 | Density | 1.218g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H22O2 | Boiling Point | 413.3°Cat760mmHg |
Molecular Weight | 270.371 | Flash Point | 176.4°C |
Transport Information | N/A | Appearance | N/A |
Safety | Moderately toxic by an unreported route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
N/A |
Product Name: Ketone, hydroxymethyl 1-phenyl-3-adamantyl (CAS NO.73599-93-6)
Molecular Formula: C18H22O2
Molecular Weight: 270.40g/mol
Mol File: 73599-93-6.mol
Boiling point: 413.3 °C at 760 mmHg
Flash Point: 176.4 °C
Density: 1.218 g/cm3
Surface Tension: 55.8 dyne/cm
Enthalpy of Vaporization: 70.22 kJ/mol
Vapour Pressure: 1.43E-07 mmHg at 25°C
XLogP3-AA: 3.4
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of Ketone, hydroxymethyl 1-phenyl-3-adamantyl (CAS NO.73599-93-6):
IUPAC Name: 2-hydroxy-1-(3-phenyl-1-adamantyl)ethanone
Canonical SMILES: C1C2CC3(CC1CC(C2)(C3)C(=O)CO)C4=CC=CC=C4
InChI: InChI=1S/C18H22O2/c19-11-16(20)18-9-13-6-14(10-18)8-17(7-13,12-18)15-4-2-1-3-5-15/h1-5,13-14,19H,6-12H2
InChIKey: PULHCWNHJIVEPP-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | unreported | 680mg/kg (680mg/kg) | BEHAVIORAL: ANTICONVULSANT | Russian Pharmacology and Toxicology Vol. 43, Pg. 73, 1980. |
Moderately toxic by an unreported route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
DOT Classification: 3; Label: Flammable Liquid
Ketone, hydroxymethyl 1-phenyl-3-adamantyl , its CAS NO. is 73599-93-6, the synonyms are BRN 1887867 ; Ethanone, 2-hydroxy-1-(1-phenyl-3-adamantyl)- .