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| Name |
Estradiol, 17-benzoate-3-n-butyrate |
EINECS | N/A |
| CAS No. | 63042-19-3 | Density | 1.18g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | 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 | N/A | Appearance | N/A |
| 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 | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
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
| 1. | 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 .
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