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| Name |
Estradiol, 17-caprylate |
EINECS | N/A |
| CAS No. | 63042-22-8 | Density | 1.09g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C26H38O3 | Boiling Point | 521.1°Cat760mmHg |
| Molecular Weight | 398.64 | Flash Point | 200.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental tumorigenic and teratogenic 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-caprylate Chemical Properties
IUPAC Name: (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) octanoate
Empirical Formula: C26H38O3
Molecular Weight: 398.5781g/mol
Index of Refraction: 1.556
Molar Refractivity: 116.53 cm3
Molar Volume: 362.4 cm3
Polarizability: 46.19×10-24cm3
Surface Tension: 45.9 dyne/cm
Density: 1.09 g/cm3
Flash Point: 200.1 °C
Enthalpy of Vaporization: 82.41 kJ/mol
Boiling Point: 521.1 °C at 760 mmHg
Vapour Pressure: 1.78E-11 mmHg at 25°C
Classification Code: Tumor data
Canonical SMILES: CCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C
InChI: InChI=1S/C26H38O3/c1-3-4-5-6-7-8-25(28)29-24-14-13-23-22-11-9-18-17-19(27)10-12-20(18)21(22)15-16-26(23,24)2/h10,12,17,21-24,27H,3-9,11,13-16H2,1-2H3
InChIKey: VJJJFYBJSXJBPB-UHFFFAOYSA-N
Structure of Estradiol, 17-caprylate (CAS NO.63042-22-8):
.png)
Estradiol, 17-caprylate Toxicity Data With Reference
| 1. | scu-gpg TDLo:800 µg/kg/13W-I:ETA,TER | CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 130 (1939),1466. |
Estradiol, 17-caprylate Safety Profile
Questionable carcinogen with experimental tumorigenic and teratogenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTRADIOL.
Estradiol, 17-caprylate Specification
Estradiol, 17-caprylate , its cas register number is 63042-22-8. It also can be called 3-06-00-05347 (Beilstein Handbook Reference) ; BRN 3168440 ; Caprylate d'oestradiol ; Estra-1,3,5(10)-triene-3,17beta-diol 17-octanoate . When Estradiol, 17-caprylate (CAS NO.63042-22-8) is heated to decomposition, it emits acrid smoke and irritating fumes.
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