3-Hydroxyestra-1(10),2,4-trien-17-one

Basic Information

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CAS Number

53-16-7

Molecular Formula

C18H22O2

Molecular Weight

270.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

258-260?°C

Boiling Point

445.2°C at 760 mmHg

Water Solubility

0.03 g/L

Flash Point

189.7°C

Solubility

0.76g/L at 20 ºC

Refractive Index

165 ° (C=1, Dioxane)

Vapor Pressure

1.54E-08mmHg at 25°C

Odor

Odorless

Specific Rotation

158 º (c=1, dioxane)

SMILES

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C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2CCC1=O

InChI

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

InChIKey

DNXHEGUUPJUMQT-CBZIJGRNSA-N

LogP

3.817400000000003

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

418

Safety Information

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GHS Hazard Pictograms

H350

H360

Hazard Statement

H350 May cause cancer
Carcinogenicity

H360 May damage fertility or the unborn child
Reproductive toxicity

Storage Conditions

2-8℃

Synonyms & References

English

Estrone
1,3,5(10)-estratrien-3-ol-17-one
3beta-Hydroxyestra-1,3,5(10)-trien-17-one
3-Hydroxy-1,3,5(10)-estratrien-17-one
beta-Estrone
Estra-1,3,5(10)-trien-17-one, 3-hydroxy-
Estrol
folliculin
ketohydroxyestrin
Oestrin
Oestrone
Estrone solution
ESTRONE(RG)
1, 3, 5-Estratrien-3-ol-17-one
E 1
Estrin
Estron
Estrona
Femidyn
Folipex
Folisan
Kolpon
Oestrone
Theelin
estrovarin
Estrugenone
follicular hormone
Kestrone
Follicunodis
Oestroperos
Oestroform

MDL Number

MFCD00003620

Customs Code

2937290090

FAQ

What is 3-Hydroxyestra-1(10),2,4-trien-17-one (CAS: 53-16-7)?

3-Hydroxyestra-1(10),2,4-trien-17-one (CAS: 53-16-7) is a steroid compound that serves as a key intermediate in the synthesis of various pharmaceuticals and biological agents. It has the chemical formula C18H26O3 and is characterized by its hydroxyl and ketone functional groups. This compound is known for its structural similarity to estrogen and plays a role in hormonal research and drug development.

What are the main uses of 3-Hydroxyestra-1(10),2,4-trien-17-one (CAS: 53-16-7)?

3-Hydroxyestra-1(10),2,4-trien-17-one (CAS: 53-16-7) is primarily used in pharmaceutical research for the development of estrogen derivatives and related hormonal therapies. It also finds applications in chemical synthesis, biochemical studies, and as a precursor for certain drugs. Its role in steroid metabolism makes it relevant in both medical and industrial contexts.

Is 3-Hydroxyestra-1(10),2,4-trien-17-one (CAS: 53-16-7) safe?

The safety of 3-Hydroxyestra-1(10),2,4-trien-17-one (CAS: 53-16-7) depends on its handling and application. It is generally considered safe when used in controlled laboratory settings. However, proper protective measures, such as gloves and ventilation, should be taken during handling. Safety standards for this compound are typically aligned with those for steroid intermediates and chemical reagents.

How should 3-Hydroxyestra-1(10),2,4-trien-17-one (CAS: 53-16-7) be stored?

3-Hydroxyestra-1(10),2,4-trien-17-one (CAS: 53-16-7) should be stored in a cool, dry, and dark place to maintain its stability. It is best kept in a sealed container at a temperature below 25°C and away from moisture and light. Proper storage is essential to prevent degradation and ensure the compound remains chemically active for research and industrial purposes.