Estra-4,9-diene-3,17-dione

Basic Information

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CAS Number

5173-46-6

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 Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

137.0 to 144.0 deg-C

Boiling Point

466.5°C at 760 mmHg

Density

1.16

Flash Point

173.4 °C

Refractive Index

1.575

SMILES

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C[C@]1([C@](CC2)([H])[C@]3([H])CCC4=CC(CCC4=C3CC1)=O)C2=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/h10,15-16H,2-9H2,1H3/t15-,16+,18+/m1/s1

InChIKey

BHTWZQKERRCPRZ-RYRKJORJSA-N

LogP

3.7615000000000025

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

566

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

Estra-4,9-Diene-3,17-Dione
Methyldienedione
(-)-Estra-4,9-diene-3,17-dione
(8S,13S,14S)-13-Methyl-7,8,11,12,13,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione
ESTRA-4,9-DIENE-3,17-DIONE(P)
4,9-Androstadiene-3,17-dione
4,9-ESTRADIEN-3,17-DIONE
4,9-ESTRADIENE-3,17-DIONE
9-Estradien-3
Estra-4,9-diene-3
estra-4,9diene-3,17-dione
Estradienedione
nordienedione
Trena
19-Norandrosta-4,9-diene-3,17-dione

MDL Number

MFCD03695567

Customs Code

2937290090

FAQ

What are the physical and chemical properties of Estra-4,9-diene-3,17-dione (CAS: 5173-46-6)?

Estra-4,9-diene-3,17-dione (CAS: 5173-46-6) is a steroid compound. It is a white solid with a molecular weight of approximately 252.38 g/mol. The compound is slightly soluble in water but soluble in organic solvents like ethanol and acetone. It is chemically stable but can undergo reactions under certain conditions, such as in the presence of light or heat.

How is Estra-4,9-diene-3,17-dione (CAS: 5173-46-6) typically synthesized?

Estra-4,9-diene-3,17-dione can be synthesized through the dehydrogenation of estrane-4,9-diene-3,17-dione using a platinum catalyst. The reaction is typically conducted under an inert atmosphere at moderate temperatures. The yield is around 85-90%, and the process can be optimized for selectivity and purity.

What industries use Estra-4,9-diene-3,17-dione (CAS: 5173-46-6)?

Estra-4,9-diene-3,17-dione (CAS: 5173-46-6) is primarily used in the pharmaceutical industry for the synthesis of progestin derivatives. It also finds applications in the production of certain polymers and in the development of sensor technologies due to its specific chemical properties.

What precautions should be taken when handling Estra-4,9-diene-3,17-dione (CAS: 5173-46-6)?

When handling Estra-4,9-diene-3,17-dione (CAS: 5173-46-6), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety glasses. Handle the compound in a well-ventilated fume hood to avoid inhalation. Store it in a cool, dry place away from direct sunlight and heat sources. In case of a spill, immediately clean up the area and follow the safety data sheet (SDS) guidelines for disposal.