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73599-93-6

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Basic Information
CAS No.: 73599-93-6
Name: 2-hydroxy-1-(3-phenyltricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone
Molecular Structure:
Molecular Structure of 73599-93-6 (2-hydroxy-1-(3-phenyltricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone)
Formula: C18H22O2
Molecular Weight: 270.371
Density: 1.218g/cm3
Boiling Point: 413.3°Cat760mmHg
Flash Point: 176.4°C
Safety: Moderately toxic by an unreported route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.
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  • 2-hydroxy-1-(3-phenyltricyclo[3.3.1.1~3,7~]dec-1-yl)ethanone

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Chemistry

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

Toxicity Data With Reference

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.

Safety Profile

Moderately toxic by an unreported route. A flammable liquid. When heated to decomposition it emits acrid smoke and irritating vapors.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 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)- .