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Basic Information
CAS No.: 672-76-4
Name: 2-Hydroxy-5-isopropyl-2,4,6-cycloheptatriene-1-one
Molecular Structure:
Molecular Structure of 672-76-4 (2-Hydroxy-5-isopropyl-2,4,6-cycloheptatriene-1-one)
Formula: C10H12O2
Molecular Weight: 164.204
Synonyms: 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(1-methylethyl)-;5-Isopropyl-tropolon;5-isopropyl-tropolone;
Density: 1.127g/cm3
Melting Point: 82°C
Boiling Point: 303.4°Cat760mmHg
Flash Point: 128.1°C
Safety: Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 37.30000
LogP: 1.87580
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Chemistry

IUPAC Name: 2-Hydroxy-5-propan-2-ylcyclohepta-2,4,6-trien-1-one
Synonyms: 2-Hydroxy-5-isopropyl-2,4,6-cycloheptatrienone ; Gamma.-Thujaplicin ; Gamma.-Thujaplicine ; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5- (1-methylethyl)- ; 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-5-(1-methylethyl)-
CAS NO: 672-76-4
Empirical Formula of γ-Thujaplicin (CAS NO.672-76-4) : C10H12O2
Molecular Weight of γ-Thujaplicin (CAS NO.672-76-4) : 164.2011
Molecular Structure of γ-Thujaplicin (CAS NO.672-76-4) :
Index of Refraction: 1.553
Surface Tension: 44.6 dyne/cm
Density: 1.127 g/cm3
Flash Point: 128.1 °C
Enthalpy of Vaporization: 63.05 kJ/mol
Boiling Point: 303.4 °C at 760 mmHg
Vapour Pressure: 8.98E-05 mmHg at 25°C
 

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo intravenous 100mg/kg (100mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 48, Pg. 722, 1959.
mouse LD50 intraperitoneal 162mg/kg (162mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 48, Pg. 722, 1959.

 

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intraperitoneal and intravenous routes. When heated to decomposition it emits acrid smoke and irritating fumes.