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Name |
Equilin benzoate |
EINECS | N/A |
CAS No. | 6030-80-4 | Density | 1.24g/cm3 |
PSA | 43.37000 | LogP | 5.25110 |
Solubility | N/A | Melting Point |
193-196 °C(lit.) |
Formula | C25H24 O3 | Boiling Point | 541°C at 760 mmHg |
Molecular Weight | 372.464 | Flash Point | 235.6°C |
Transport Information | N/A | Appearance | N/A |
Safety | Experimental reproductive effects. Questionable carcinogen with experimental neoplastigenic and tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS. | Risk Codes | R40 |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
Estra-1,3,5(10),7-tetraen-17-one,3-hydroxy-, benzoate (8CI); Equilin 3-benzoate |
Article Data | 3 |
IUPAC Name: [(9S,13S,14S)-13-Methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] benzoate
Molecular Formula: C25H24O3
Molecular Weight: 372.49g/mol
Melting Point: 193-196 °C
Freely Rotating Bonds: 3
Polar Surface Area: 43.37 Å2
Index of Refraction: 1.634
Molar Refractivity: 107.14 cm3
Molar Volume: 299.6 cm3
Polarizability: 42.47 ×10-24cm3
Surface Tension: 54.2 dyne/cm
Density: 1.24 g/cm3
Flash Point: 235.6 °C
Enthalpy of Vaporization: 81.88 kJ/mol
Boiling Point: 541 °C at 760 mmHg
Vapour Pressure: 9.05E-12 mmHg at 25°C
The Cas Register Number of Equilin benzoate is 6030-80-4 .The chemical synonyms of Equilin benzoate (CAS No.6030-80-4) are 3-Hydroxyestra-1,3,5(10),7-tetraen-17-one,benzoate ; Equilin benzoate ; 1,3,5(10), 7-Estratetraen-3-ol-17-one benzoate ; 3-Benzoyloxyestra-1,3,5(10),7-tetren-17-one .Product categories of Equilin benzoate (CAS No.6030-80-4) are Asymmetric synthesis ; Chiral building Blocks ; Complex molecules .The molecular structure of Equilin benzoate (CAS No.6030-80-4) is.
1. | scu-mus TD:148 mg/kg/37W-I:ETA,REP | YJBMAU Yale Journal of Biology and Medicine. 12 (1939),213. |
Experimental reproductive effects. Questionable carcinogen with experimental neoplastigenic and tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS.
Hazard Codes: Xn
Risk Statements: 40
R40: Limited evidence of a carcinogenic effect.
Safety Statements: 36
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: KD7875000