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Basic Information
CAS No.: 3434-88-6
Name: Estradiol diacetate
Molecular Structure:
Molecular Structure of 3434-88-6 (Estradiol diacetate)
Formula: C22H28 O4
Molecular Weight: 356.462
Synonyms: Estra-1,3,5(10)-triene-3,17-diol(17b)-, diacetate (9CI); Estradiol,diacetate (6CI,7CI,8CI); 17b-Estradiol diacetate; 3,17b-Diacetoxyestra-1,3,5(10)-triene; Estra-1,3,5(10)-triene-3,17b-diol diacetate;Estradiol-3,17-diacetate; Estradiol-3,17b-diacetate; NSC 106559; b-Estradiol diacetate
EINECS: 222-335-3
Density: 1.17g/cm3
Boiling Point: 463.4°Cat760mmHg
Flash Point: 227.5°C
Hazard Symbols:
Risk Codes: 40-48
Safety:
Hazard Codes Xn
Risk Statements 40-48
Safety Statements 22-24/25
PSA: 52.60000
LogP: 4.39970
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Chemistry

Molecular Structure of Estradiol diacetate (CAS NO.3434-88-6):

IUPAC Name: [(8R,9S,13S,14S,17S)-3-Acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate 
Molecular Formula: C22H28O4
Molecular Weight: 356.45
EINECS: 222-335-3 
Index of Refraction: 1.561
Molar Refractivity: 98.33 cm3
Molar Volume: 303.3 cm3
Surface Tension: 46.4 dyne/cm
Density: 1.17 g/cm3
Flash Point: 227.5 °C
Enthalpy of Vaporization: 72.47 kJ/mol
Boiling Point: 463.4 °C at 760 mmHg
Vapour Pressure: 9.08E-09 mmHg at 25 °C
Product Categories: Steroids 
SMILES: O=C(Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@@H](OC(=O)C)CC[C@H]4[C@@H]2CC3)C)C
InChI: InChI=1/C22H28O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1
InChIKey: VQHQLBARMFAKSV-AANPDWTMBD

Safety Profile

Safety Information of Estradiol diacetate (CAS NO.3434-88-6):
Hazard Codes: HarmfulXn
Risk Statements: 40-48 
R40:Limited evidence of a carcinogenic effect. 
R48:Danger of serious damage to health by prolonged exposure.
Safety Statements: 22-24/25 
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.

Specification

 Estradiol diacetate (CAS NO.3434-88-6), its Synonyms are 17beta-Estradiol diacetate ; 3,17beta-Diacetoxyestra-1,3,5(10)-triene ; Estradiol-3,17-diacetate ; Estradiol-3,17beta-diacetate ; Estra-1,3,5(10)-triene-3,17-diol (17beta)-, diacetate (9CI) ; Estra-1,3,5(10)-triene-3,17beta-diol diacetate ; Estradiol, diacetate (8CI) .