ESTRONE-2,4,16,16-D4 Chemical Properties

Melting point:

258-260 °C(lit.)

storage temp. 

-20°C Freezer

solubility 

Chloroform (Slightly, Heated), DMSO (Sparingly), Ethanol (Slightly, Sonicated)

form 

Solid

color 

White to Pale Orange

optical activity

[α]20/D +161°, c = 1 in dioxane

InChI

1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3D,7D2,10D

InChIKey

DNXHEGUUPJUMQT-QSPUTOQOSA-N

SMILES

[2H]c1cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])C4=O)[C@@H]3CCc2c([2H])c1O

CAS Number Unlabeled

53-16-7

Safety Information

Hazard Codes 

T

Risk Statements 

60-61-45

Safety Statements 

53-22-36/37/39-45

WGK Germany 

3

HS Code 

28459000

Storage Class

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects

Hazard Classifications

Carc. 2
Lact.
Repr. 1A

MSDS

• Language:English Provider:SigmaAldrich

ESTRONE-2,4,16,16-D4 Usage And Synthesis

Chemical Properties

White Solid

Uses

Isotope labelled Estrone (E889050), which is a metabolite of 17β-Estradiol (E888000). During the metabolism, it is in rapid equilibrium with Estriol (E888960) and 17β-Estradiol (E888000) (1). Causes the feminization of male fish at human and animal waste sites (2).Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.

Uses

A labelled metabolite of 17β-Estradiol.

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