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Basic Information
CAS No.: 6030-80-4
Name: EQUILIN BENZOATE
Article Data: 3
Molecular Structure:
Molecular Structure of 6030-80-4 (EQUILIN BENZOATE)
Formula: C25H24 O3
Molecular Weight: 372.464
Synonyms: Estra-1,3,5(10),7-tetraen-17-one,3-hydroxy-, benzoate (8CI); Equilin 3-benzoate
Density: 1.24g/cm3
Melting Point: 193-196 °C(lit.)
Boiling Point: 541°C at 760 mmHg
Flash Point: 235.6°C
Hazard Symbols: Xn
Risk Codes: R40
Safety: Experimental reproductive effects. Questionable carcinogen with experimental neoplastigenic and tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
PSA: 43.37000
LogP: 5.25110
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Chemistry

IUPAC Name: [(9S,13S,14S)-13-Methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] benzoate
Molecular Formula: C25H24O3
Molecular Weight: 372.49g/mol
Melting Point: 193-196 °C
Freely Rotating Bonds: 3
Polar Surface Area: 43.37 Å2
Index of Refraction: 1.634
Molar Refractivity: 107.14 cm3
Molar Volume: 299.6 cm3
Polarizability: 42.47 ×10-24cm3
Surface Tension: 54.2 dyne/cm
Density: 1.24 g/cm3
Flash Point: 235.6 °C
Enthalpy of Vaporization: 81.88 kJ/mol
Boiling Point: 541 °C at 760 mmHg
Vapour Pressure: 9.05E-12 mmHg at 25°C 
The Cas Register Number of Equilin benzoate is 6030-80-4 .The chemical synonyms of Equilin benzoate (CAS No.6030-80-4) are 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one,benzoate ; Equilin benzoate ; 1,3,5(10), 7-Estratetraen-3-ol-17-one benzoate ; 3-Benzoyloxyestra-1,3,5(10),7-tetren-17-one .Product categories of Equilin benzoate (CAS No.6030-80-4) are Asymmetric synthesis ; Chiral building Blocks ; Complex molecules .The molecular structure of Equilin benzoate (CAS No.6030-80-4) is.

Toxicity Data With Reference

1.    

scu-mus TD:148 mg/kg/37W-I:ETA,REP

     YJBMAU    Yale Journal of Biology and Medicine. 12 (1939),213.

Safety Profile

Experimental reproductive effects. Questionable carcinogen with experimental neoplastigenic and tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Hazard Codes: HarmfulXn  
Risk Statements: 40
R40: Limited evidence of a carcinogenic effect.  
Safety Statements: 36
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: KD7875000