Estradiol, 17-benzoate-3-n-butyrate supplier

Name
1,3,5(10)-Estratriene-3,17β-diol 17-benzoate 3-butanoate
EINECS
CAS No. 63042-19-3
Density 1.18g/cm³
Solubility
Melting Point 141.5-142.0 °C
Formula C₂₉H₃₄O₄
Boiling Point 563.4°Cat760mmHg
Molecular Weight 446.63
Flash Point 279.2°C
Transport Information
Appearance
Safety Experimental reproductive effects. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTRADIOL.
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms
PSA
LogP

Estradiol, 17-benzoate-3-n-butyrate Chemical Properties

IUPAC Name: (3-butanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) benzoate
Empirical Formula: C₂₉H₃₄O₄
Molecular Weight: 446.5779g/mol
Index of Refraction: 1.59
Molar Refractivity: 127.67 cm³
Molar Volume: 378.1 cm³
Polarizability: 50.61×10^-24cm³
Surface Tension: 50 dyne/cm
Density: 1.18 g/cm³
Flash Point: 279.2 °C
Enthalpy of Vaporization: 84.67 kJ/mol
Boiling Point: 563.4 °C at 760 mmHg
Vapour Pressure: 1.02E-12 mmHg at 25°C
Classification Code: Hormone, Tumor data
Canonical SMILES: CCCC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4OC(=O)C5=CC=CC=C5)C
InChI: InChI=1S/C29H34O4/c1-3-7-27(30)32-21-11-13-22-20(18-21)10-12-24-23(22)16-17-29(2)25(24)14-15-26(29)33-28(31)19-8-5-4-6-9-19/h4-6,8-9,11,13,18,23-26H,3,7,10,12,14-17H2,1-2H3
InChIKey: JQFFZHSMBIWVHC-UHFFFAOYSA-N
Structure of Estradiol, 17-benzoate-3-n-butyrate (CAS NO.63042-19-3):

Estradiol, 17-benzoate-3-n-butyrate Toxicity Data With Reference

scu-gpg TDLo:7 mg/kg/12W-I:ETA,REP

CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 130 (1939),1466.

Estradiol, 17-benzoate-3-n-butyrate Safety Profile

Experimental reproductive effects. Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTRADIOL.

Estradiol, 17-benzoate-3-n-butyrate Specification

Estradiol, 17-benzoate-3-n-butyrate , its cas register number is 63042-19-3. It also can be called 17-Benzoate-3-N-butyrate d'oestradiol ; 17-Benzoate-3-N-butyrate d'oestradiol [French] ; 3-09-00-00616 (Beilstein Handbook Reference) ;
BRN 3178781 ; Estra-1,3,5(10)-triene-3,17-beta-diol, 17-benzoate-3-n-butyrate .

Product Name

1,3,5(10)-Estratriene-3,17β-diol 17-benzoate 3-butanoate

Estradiol, 17-benzoate-3-n-butyrate Chemical Properties

Estradiol, 17-benzoate-3-n-butyrate Toxicity Data With Reference

Estradiol, 17-benzoate-3-n-butyrate Safety Profile

Estradiol, 17-benzoate-3-n-butyrate Specification

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