CAS No.53-16-7,1,3,5(10)-Estratrien-3-ol-17-one Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	53-16-7
Name:	1,3,5(10)-Estratrien-3-ol-17-one
Article Data:	173

Formula:	C₁₈H₂₂O₂
Molecular Weight:	270.371
Synonyms:	delta-1,3,5-estratrien-3-beta-ol-17-one;Hormestrin;Oestrin;delta-1,3,5-oestratrien-3-beta-ol-17-one;Estrona [Spanish];CMC_13458;Ovifollin;Wynestron;component of Mal-O-Fem;Cristallovar;Menagen;Estrusol;hydroxyestrones;Ketohydroxyoestrin;.delta.-1,3, 5-Oestratrien-3.beta.-ol-17-one;Folipex;3-Hydroxy-17-keto-estra-1,3,5-triene;Disynformon;3-Hydroxy-oestra-1,3, 5(10)-trien-17-one;Estrone-A;Destrone;Ovex (tablets);Estrol;Follicunodis;
EINECS:	200-164-5
Density:	1.164 g/cm³
Melting Point:	258-261 ºC
Boiling Point:	445.2 ºC at 760 mmHg
Flash Point:	189.7 ºC
Solubility:	water: 0.03 g/L
Appearance:	crystalline solid
Hazard Symbols:	T
Risk Codes:	45-60-61
Safety:	53-45
PSA:	37.30000
LogP:	3.81740

Synthetic route

: 50-28-2
estradiol

: 53-16-7
Estrone

Conditions

Conditions	Yield
With Cp*Ir(6,6'-dionato-2,2'-bipyridine)(H2O) In tert-butyl alcohol at 130℃; for 20h;	100%
With Cp*Ir(6,6'-dionato-2,2'-bipyridine)(H2O) In tert-butyl alcohol for 20h; Reflux;	100%
With polystyrene-supported(cathecholato) oxoRe cat. act by iPrOH; dimethyl sulfoxide In toluene for 4h; Heating; Dean-Stark apparatus;	98%

: 493001-46-0
R-estradiol

: 75-65-0
tert-butyl alcohol

: 53-16-7
Estrone

Conditions

Conditions	Yield
	100%

: 901-93-9
estrone acetate

: 53-16-7
Estrone

Conditions

Conditions	Yield
With methanol; zinc	98%
With tetrabutyl ammonium fluoride In tetrahydrofuran at 27℃; for 72h;	94%
With lipase from Candida cylindracea; octanol In various solvent(s) at 37℃; for 144h;	90%
With sodium hydroxide In methanol; water for 0.25h;

: 92803-51-5
17-oxo-1,3,5(10)-estratrien-3-yl 2-(trimethylsilyl)ethyl butanedioate

: 53-16-7
Estrone

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In tetrahydrofuran at 27℃; for 24h;	97%

: 5189-96-8
10β-hydroxy-19-norandrost-4-ene-3,17-dione

: 53-16-7
Estrone

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In diethyl ether Ambient temperature;	96%
With toluene-4-sulfonic acid In diethyl ether Ambient temperature; Yield given;
With acetic acid In chloroform-d1

: 1422954-71-9
C23H34O3Si

: 53-16-7
Estrone

Conditions

Conditions	Yield
With hydrogenchloride In tetrahydrofuran; water at 20℃; for 2h;	95%

: 1624-62-0
estrone 3-methyl ether

: 53-16-7
Estrone

Conditions

Conditions	Yield
With aluminium trichloride; sodium iodide In dichloromethane; acetonitrile for 5.5h; Heating;	93%
Stage #1: estrone 3-methyl ether With aluminum (III) chloride; sodium iodide In dichloromethane at 0 - 20℃; Inert atmosphere; Stage #2: With hydrogenchloride; water In dichloromethane Inert atmosphere;	92%
With boron tribromide at -30 - 0℃; for 2.5h;	88%

: 95282-98-7
19-acetoxyandrosta-1,4-diene-3,17-dione

: 53-16-7
Estrone

Conditions

Conditions	Yield
With sodium hydroxide In methanol at 20℃; for 0.05h;	90%
With sodium hydroxide In methanol at 20℃; for 2h;	76%
With potassium hydroxide In methanol at 20℃; for 2h;	50.1%

(polystyrene resin Novabiochem)-C6H4(C6H5)2CNHSO2O-3-estrone: (polystyrene resin Novabiochem)-C6H4(C6H5)2CNHSO2O-3-estrone

: 53-16-7
Estrone

Conditions

Conditions	Yield
With diethylamine In ethanol; dichloromethane at 55 - 60℃; for 8h; Hydrolysis;	90%

: 90850-47-8
3-<2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy>estra-1,3,5(10)-trien-17-one

: 53-16-7
Estrone

Conditions

Conditions	Yield
With sodium methylate In N,N-dimethyl-formamide at 20℃; for 2h; Product distribution; regeneration reactions of the parent compound from different perfluoroaryl derivatives to the alcohols; other educts and products, different times, temperatures and mol ratios of the educts;	87%

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Chemistry

Molecular Structure of Estrone (CAS NO.53-16-7):

Molecular Formula: C₁₈H₂₂O₂
Molecular Weight: 270.3661
IUPAC Name: (8R,9S,13S,14S)-3-Hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CAS NO: 53-16-7
EINECS: 200-164-5
Classification Code: Drug / Therapeutic Agent ; Estrogen ; Estrogens ; Hormone ; Hormones ; Hormones, Hormone Substitutes, and Hormone Antagonists ; Human Data ; Mutation data ; Natural Product ; Reproductive Effect ; Tumor data
Melting point: 258-260 °C
Index of Refraction: 1.587
Molar Refractivity: 78.04 cm³
Molar Volume: 232.1 cm³
Surface Tension: 46 dyne/cm
Density: 1.164 g/cm³
Flash Point: 189.7 °C
Enthalpy of Vaporization: 73.02 kJ/mol
Boiling Point: 445.2 °C at 760 mmHg
Vapour Pressure: 1.54E-08 mmHg at 25 °C
alpha :158 °(c=1, dioxane)
refractive index: 165 °(C=1, Dioxane)
Water Solubility: 0.03 g/L
Product Categories: Steroids; Various Metabolites and Impurities; 17-Ketosteroids; Biochemistry; Hydroxyketosteroids; Metabolites & Impurities

Uses

Estrone (CAS NO.53-16-7) is mainly used as a metabolite of 17-Estradiol.

Consensus Reports

NTP 10th Report on Carcinogens. Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 6 , 1974,p. 123.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: )IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 21 , 1979,p. 343.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes of Estrone (CAS NO.53-16-7): Toxic T
Risk Statements: 45-60-61
R45: May cause cancer.
R60: May impair fertility.
R61: May cause harm to the unborn child.
Safety Statements: 53-45
S53: Avoid exposure - obtain special instructions before use.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
WGK Germany: 3
RTECS: KG8575000
Confirmed carcinogen with experimental carcinogenic, neoplastigenic, tumorigenic, and teratogenic data. A poison by intraperitoneal and subcutaneous routes. Human reproductive effects by implantation: spermatogenesis and impotence. Mutation data reported. A steroid drug for the treatment of menopause and ovariectomy symptoms. When heated to decomposition it emits acrid smoke and irritating fumes.

Specification

Synonyms of Estrone (CAS NO.53-16-7) are1,3,5(10)-Estratrien-3-ol-17-one ; 1,3,5(10)-Oestratrien-3-ol-17-one ; 3-08-00-01171 (Beilstein Handbook Reference) ; 3-Hydroxy-17-keto-estra-1,3,5-triene ; 3-Hydroxy-17-keto-oestra-1,3,5-triene ; 3-Hydroxy-oestra-1,3,5(10)-trien-17-one ; 3-Hydroxyestra-1,3,5(10)-trien-17-one ; 3-Hydroxyestra-1,3,5(10)-triene-17-one ; Aquacrine ; Crinovaryl ; Cristallovar ; Crystogen ; Destrone ; Disynformon ; E(sub 1) ; Endofolliculina ; Estra-1,3,5(10)-trien-17-one, 3-hydroxy- ; Estrogenic substance ; Estron ; Estrona ; Estrone-A ; Estronum ; Estrovarin ; Estrugenone ; Estrusol ; Fem-O-Gen ; Femestrone injection ; Femidyn ; Folikrin ; Folipex ; Folisan ; Follestrine ; Follestrol ; Follicular hormone ; Folliculin ; Folliculine ; Folliculine benzoate ; Follicunodis ; Glandubolin ; Hiestrone ; Hormestrin ; Hormofollin ; Hormovarine ; Kestrone ; Ketodestrin ; Ketohydroxy-estratriene ; Ketohydroxyestrin ; Ketohydroxyoestrin ; Kolpon ; Menagen ; Menformon ; Mestronaq ; Natural estrogenic substance-estrone ; Oestrin ; Oestroform ; Oestrone ; Oestronum ; Oestroperos ; Ovex (tablets) ; Ovifollin ; Perlatan ; Solliculin ; Theelin ; Thelestrin ; Thelykinin ; Thynestron ; Tokokin ; Unden ; Unden (pharmaceutical) ; Wynestron ; delta-1,3,5-Estratrien 3beta-ol-17-one ; delta-1,3,5-Oestratrien-3beta-ol-17-one ; delta-1,3,5-estratrien-3-beta-ol-17-one ; delta-1,3,5-oestratrien-3-beta-ol-17-one .