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| CAS No.: | 84-19-5 |
|---|---|
| Name: | DIENESTROL DIACETATE |
| Molecular Structure: | |
|
|
|
| Formula: | C22H22 O4 |
| Molecular Weight: | 350.414 |
| Synonyms: | Phenol,4,4'-(diethylideneethylene)di-, diacetate (6CI,7CI,8CI);3,4-Bis(p-acetoxyphenyl)-2,4-hexadiene; Dienestrol diacetate; Farmacyrol;Lipamone; NSC 81279; Retalon-Oral |
| Density: | 1.115g/cm3 |
| Melting Point: | 122°C |
| Boiling Point: | 451.5°C at 760 mmHg |
| Flash Point: | 2 °C |
| Hazard Symbols: |
 
|
| Risk Codes: | 36/37/38-48-40-36-20/21/22-11 |
| Safety: | Experimental reproductive effects. When heated to decomposition it emits acrid smoke and fumes. |
| PSA: | 52.60000 |
| LogP: | 5.04400 |
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Chemistry
Molecule structure of Dienestrol diacetate (CAS NO.84-19-5):
IUPAC Name: [4-[(2E,4E)-4-(4-Acetyloxyphenyl)hexa-2,4-dien-3-yl]phenyl] acetate
Molecular Weight: 350.40768 g/mol
Molecular Formula: C22H22O4
Density: 1.115 g/cm3
Melting Point: 122 °C
Boiling Point: 451.5 °C at 760 mmHg
Flash Point: 220 °C
Index of Refraction: 1.563
Molar Refractivity: 102.2 cm3
Molar Volume: 314.2 cm3
Polarizability: 40.51×10-24 cm3
Surface Tension: 40.3 dyne/cm
Enthalpy of Vaporization: 71.06 kJ/mol
Vapour Pressure: 2.42E-08 mmHg at 25 °C
XLogP3-AA: 5.6
H-Bond Acceptor: 4
Rotatable Bond Count: 7
Exact Mass: 350.151809
MonoIsotopic Mass: 350.151809
Topological Polar Surface Area: 52.6
Heavy Atom Count: 26
Complexity: 495
Canonical SMILES: CC=C(C1=CC=C(C=C1)OC(=O)C)C(=CC)C2=CC=C(C=C2)OC(=O)C
Isomeric SMILES: C/C=C(/C(=C/C)/C1=CC=C(C=C1)OC(=O)C)\C2=CC=C(C=C2)OC(=O)C
InChI: InChI=1S/C22H22O4/c1-5-21(17-7-11-19(12-8-17)25-15(3)23)22(6-2)18-9-13-20(14-10-18)26-16(4)24/h5-14H,1-4H3/b21-5+,22-6+
InChIKey: YWLLGDVBTLPARJ-OXAZHYLESA-N
EINECS of Dienestrol diacetate (CAS NO.84-19-5): 201-520-2
Safety Profile
Hazard Codes: 
Xn, 
F
Risk Statements: 36/37/38-48-40-36-20/21/22-11
R36/37/38:Irritating to eyes, respiratory system and skin.
R48:Danger of serious damage to health by prolonged exposure.
R40:Limited evidence of a carcinogenic effect.
R36:Irritating to eyes.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R11:Highly flammable.
Safety Statements: 26-36/37/39-24/25-22-36/37
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S24/25:Avoid contact with skin and eyes.
S22:Do not breathe dust.
S36/37:Wear suitable protective clothing and gloves.
RIDADR: UN 2811 6.1/PG 2
RTECS: SL0590000
Experimental reproductive effects. When heated to decomposition it emits acrid smoke and fumes.
Specification
Dienestrol diacetate (CAS NO.84-19-5) is also named as 3,4-Bis(p-acetoxyphenyl)-2,4-hexadiene ; 4,4'-(1,2-Diethylidene-1,2-ethanediyl)bis(phenol) diacetate ; 4,4'-(Diethylideneethylene)diphenol diacetate ; Cycladiene ; Dienestrol ; Dienoestrol ; Dienoestrol diacetate ; Dienoestrolum ; Estraguard ; Farmacyrol ; Hexadioestrol ; Hormofemin ; Klianyl forte ; Lipamone ; Lipamone (VAN) ; NSC 81279 ; Oestrasid C ; Retalon-oral ; Sexadien .