-
Name
EQUILIN BENZOATE
- EINECS
- CAS No. 6030-80-4
- Article Data3
- CAS DataBase
- Density 1.24g/cm3
- Solubility
-
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
- Appearance
- 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
- PSA 43.37000
- LogP 5.25110
Equilin benzoate Chemical Properties
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
.
Equilin benzoate Toxicity Data With Reference
| 1. | scu-mus TD:148 mg/kg/37W-I:ETA,REP | YJBMAU Yale Journal of Biology and Medicine. 12 (1939),213. |
Equilin benzoate Safety Profile
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
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