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5945-40-4

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Basic Information
CAS No.: 5945-40-4
Name: MEXICANIN-E
Molecular Structure:
Molecular Structure of 5945-40-4 (MEXICANIN-E)
Formula: C14H16 O3
Molecular Weight: 232.30
Synonyms: Azuleno[6,5-b]furan-2,5-dione,3,3a,4,4a,7a,8,9,9a-octahydro-8-methyl-3-methylene-, [3aR-(3aa,4aa,7aa,8a,9aa)]-; Mexicanin E (6CI,7CI); Mexicanine E; NSC 264054
Density: 1.19g/cm3
Boiling Point: 426.4°C at 760 mmHg
Flash Point: 192.4°C
Safety: A poison by intraperitoneal route. When heated to decomposition it emits acrid smoke and irritating vapors.
PSA: 43.37000
LogP: 1.88540
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    Azuleno[6,5-b]furan-2,5-dione,3,3a,4,4a,7a,8,9,9a-octahydro-8-methyl-3-methylene-, (3aR,4aR,7aR,8R,9aR)- Application:Organic Chemicals

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Chemistry

Systematic Name: (3aR,4aR,7aR,8R,9aR)-8-methyl-3-methylidene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione
Synonyms of Mexicanine E (CAS NO.5945-40-4): Mexicanin E ; Azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-8-methyl-3-methylene-, (3aR-(3a-alpha,4a-alpha,7a-alpha,8-alpha,9a-alpha))
CAS NO: 5945-40-4
Molecular Formula: C14H16O3
Molecular Weight : 232.275
Molecular Structure:
H bond acceptors: 3
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 43.37 Å2
Index of Refraction: 1.548
Molar Refractivity: 62.05 cm3
Molar Volume: 195.1 cm3
Surface Tension: 41.6 dyne/cm
Density: 1.19 g/cm3
Flash Point: 192.4 °C
Enthalpy of Vaporization: 68.12 kJ/mol
Boiling Point: 426.4 °C at 760 mmHg
Vapour Pressure: 1.78E-07 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3080ug/kg (3.08mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: FOOD INTAKE (ANIMAL)

GASTROINTESTINAL: PERITONITIS		 Research Communications in Chemical Pathology and Pharmacology. Vol. 28, Pg. 189, 1980.

Safety Profile

A poison by intraperitoneal route. When Mexicanine E (CAS NO.5945-40-4) is heated to decomposition, it emits acrid smoke and irritating vapors.