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5976-61-4

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Basic Information
CAS No.: 5976-61-4
Name: 4-HYDROXYESTRADIOL
Article Data: 2
Molecular Structure:
Molecular Structure of 5976-61-4 (4-HYDROXYESTRADIOL)
Formula: C18H24O3
Molecular Weight: 288.387
Synonyms: 4-Hydroxy-17β-estradiol;4-HYDROXYESTRADIOL;4-hydroxy-17beta-estradiol;
Density: 1.248g/cm3
Melting Point: >210oC (dec.)
Boiling Point: 468.6°C at 760 mmHg
Flash Point: 220.6°C
Hazard Symbols: Xn
Risk Codes: R40
Safety: Experimental reproductive data. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 60.69000
LogP: 3.31480
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Chemistry

IUPAC Name: (8R,9S,13S,14S,17S)-13-Methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol  
Molecular Formula: C18H24O3
Molecular Weight: 288.42
Properties: Crystals from aq MeOH. 
Density: 1.248 g/cm3 
Boiling Point: 468.6 °C at 760 mmHg 
Flash Point: 220.6 °C
Melting Point: 214–216°C
Storage temperature: −20°C
Freely Rotating Bonds: 3
Polar Surface Area: 27.69 Å2
Index of Refraction: 1.622
Molar Refractivity: 81.38 cm3
Molar Volume: 231 cm3
Polarizability: 32.26× 10-24 cm3
Surface Tension: 55.4 dyne/cm
Enthalpy of Vaporization: 77 kJ/mol
Vapour Pressure: 1.39E-09 mmHg at 25°C
The Cas Register Number  of 4-Hydroxyestradiol is 5976-61-4.The chemical synonyms of 4-Hydroxyestradiol (CAS NO.5976-61-4) are (17Beta)-estra-1,3,5(10)-triene-3,4,17-triol ; 4-Hydroxy-estradiol ; Estra-1,3,5(10)-triene-3,4,17-beta-triol ; Estra-1,3,5(10)-triene-3,4,17-triol, (17beta)- ; 1,3,5(10)-Estratriene-3,4,17beta-triol ; 4-Hydroxyestradiol ; 4-Hydroxyestradiol-17 beta ; 4-OH-Estradiol ; Oestra-1,3,5(10)-triene-3,4,17beta-triol  .Product categories of 4-Hydroxyestradiol (CAS NO.5976-61-4) are Metabolites and impurities ; Steroids .The molecular structure of 4-Hydroxyestradiol (CAS NO.5976-61-4) is.

Uses

 4-Hydroxyestradiol (CAS NO.5976-61-4) is used as metabolite of Estradiol .

Toxicity Data With Reference

1.    

Rodent - ratDOSE : 1280 ng/kgSEX/DURATION

     ANDRDQ Andrologia. (Grosse Verlag GmbH, Kurfuerstenstr. 112-113, D-1000 Berlin 30, Fed. Rep. Ger.) V.6- 1974- Volume(issue)/page/year: 23,339,1991
2.    

Rodent - ratDOSE : 10 ug/kgSEX/DURATION

     EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1945- Volume(issue)/page/year: 42,165,1986
3.    

Rodent - hamster: 14 mg/kg/7D (Continuous)

     CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 15,997,1994

Safety Profile

Experimental reproductive data. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: HarmfulXn
Risk Statements: 40 
R40: Limited evidence of a carcinogenic effect.
Safety Statements: 22-36 
S22: Do not breathe dust. 
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: KG7676000