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57-63-6

57-63-6 structural image
Product Name: Ethinyl Estradiol
Formula: C20H24O2
Synonyms: 17α-Ethynyl-1,3,5(10)-estratriene-3,17β-diol;17α-Ethynylestradiol;19-Nor-1,3,5(10),17α-pregnatrien-20-yne-3,17-diol;EE;Ethinylestradiol
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Ethinylestradiol is a fine white to creamy white powder. A synthetic steroid. Used in combination with progestogen as an oral contraceptive.
Color/Form Fine, white to creamy white crystalline powder
Odor Odorless
Melting Point 288 to 295 °F (NTP, 1992)
Solubility less than 1 mg/mL at 70 °F (NTP, 1992)
LogP 3.67
LogS -4.3
Optical Rotation Fine needles from methanol and water, mp 141-146 °C. Specific optical rotation: 1 deg at 25 °C/D (dioxane). Dehydrates after melting and further heating /Ethinyl estradiol hemihydrate/
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Dielectric Constant UV max (ethanol): 281 nm (molar extinction coefficient; dielectric constant = 2040 +/- 60 g-moles/L)
Collision Cross Section 168.55 Ų [M+H-H2O]+
Kovats Retention Index 2719
Other Experimental Properties Sensitive to light

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H350:Carcinogenicity
H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P273:Avoid release to the environment.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 296.4 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 296.177630004 g/mol
Monoisotopic Mass 296.177630004 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 505
Isotope Atom Count 0
Defined Atom Stereocenter Count 5
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Ethinylestradiol is a fine white to creamy white powder. A synthetic steroid. Used in combination with progestogen as an oral contraceptive.

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