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2393-53-5

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Basic Information
CAS No.: 2393-53-5
Name: 3-Hydroxyestra-1,3,5(10)-trien-17-one benzoate
Article Data: 11
Molecular Structure:
Molecular Structure of 2393-53-5 (3-Hydroxyestra-1,3,5(10)-trien-17-one benzoate)
Formula: C25H26 O3
Molecular Weight: 374.48
Synonyms: Estrone,benzoate (6CI,7CI,8CI); Estrone 3-benzoate
Density: 1.18g/cm3
Melting Point: 217-220 °C
Boiling Point: 530.2°C at 760 mmHg
Flash Point: 230.4°C
Safety: Suspected carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. A steroid. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 43.37000
LogP: 5.33100
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Chemistry

IUPAC Name: (13-Methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) benzoate
Molecular Formula: C25H26O3
Molecular Weight: 374.51g/mol
Freely Rotating Bonds: 3
Polar Surface Area: 43.37 Å2
Index of Refraction: 1.595
Molar Refractivity: 107.8 cm3
Molar Volume: 317.1 cm3
Polarizability: 42.73 ×10-24cm3
Surface Tension: 46.2 dyne/cm
Density: 1.18 g/cm3
Flash Point: 230.4 °C
Enthalpy of Vaporization: 80.54 kJ/mol
Boiling Point: 530.2 °C at 760 mmHg
Vapour Pressure: 2.52E-11 mmHg at 25°C 
The Cas Register Number of Estrone benzoate is 2393-53-5 .The chemical synonyms of Estrone benzoate (CAS No.2393-53-5) are Estrone benzoate ; 1,3,5(10)-Estratrien-3-ol-17-one 3-benzoate ; 1,3,5(10)-Estratrien-3-ol-17-one benzoate .The molecular structure of Estrone benzoate (CAS No.2393-53-5) is.

Toxicity Data With Reference

1.    

Rodent - rat TDLo:80 mg/kg/87W-I

     CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849- Volume(issue)/page/year: 137,325,1943 .
2.    

Rodent -mouse TDLo :52mg/kg/26W-I

     CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849- Volume(issue)/page/year: 122,183,1936 .

Consensus Reports

IARC Cancer Review: Animal Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 21 , 1979,p. 343.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) .

Safety Profile

Suspected carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data. A steroid. When heated to decomposition it emits acrid smoke and irritating fumes.