3,20-Dioxopregn-4-en-21-yl acetate

Basic Information

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CAS Number

56-47-3

Molecular Formula

C23H32O4

Molecular Weight

372.51 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Melting Point

156.0 to 162.0 deg-C

Boiling Point

504.1°C at 760 mmHg

Flash Point

218 °C

Solubility

H2O: insoluble

Refractive Index

175 ° (C=1, Dioxane)

Specific Rotation

D20 +168 to +176° (dioxane)

SMILES

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CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

InChI

InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1

InChIKey

VPGRYOFKCNULNK-ACXQXYJUSA-N

LogP

4.266700000000004

Topological Polar Surface Area

60.440000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

707

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

SCHEMBL4169
2-[(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate
Deoxycorticosterone acetate
Doca (TN)
21-(acetyloxy)-pregn-4-ene-3,20-dione
DOXO
Desoxycortone acetate
AB00383000_10
CHEMBL1200542
Decostrate
LS-59473
DESOXYCORTICOSTERONE ACETATE
AKOS015837895
D0047
Cortifar
Cortate
BRD-K24556098-001-19-1
DOCA
Unidocan
Desoxykorton
NSC 9567
Doc-Ac
11-Deoxycorticosterone acetate;DOC acetate;Cortexone acetate
Percorten acetate
DOC acetate
[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
Deoxy Corticosterone Acetate
AS-11731
2-((1S,10S,11S,14S,15S,2R)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0<2,7>.0<11,15> ]heptadec-6-en-14-yl)-2-oxoethyl acetate
DESOXYCORTONE ACETATE [WHO-DD]
DESOXYCORTONE ACETATE [EP IMPURITY]

MDL Number

MFCD00003660

FAQ

What regulatory guidelines apply to 3,20-Dioxopregn-4-en-21-yl acetate (CAS: 56-47-3)?

3,20-Dioxopregn-4-en-21-yl acetate (CAS: 56-47-3) is subject to various regulatory guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA and EPA requirements in the United States. These guidelines cover safety data sheets (SDS), hazard communication, and proper handling and disposal. Ensuring compliance with these regulations is crucial for manufacturers, suppliers, and users of this compound.

Are there alternatives to 3,20-Dioxopregn-4-en-21-yl acetate (CAS: 56-47-3) in synthesis?

In the synthesis of 3,20-Dioxopregn-4-en-21-yl acetate (CAS: 56-47-3), alternatives such as ketone equivalents or different acetylating reagents can be used. Common substitutes include acetic anhydride, acetyl chloride, and other similar organic compounds. These alternatives offer varying degrees of effectiveness, depending on the specific reaction conditions and desired end-product characteristics.

What is the market or research trend for 3,20-Dioxopregn-4-en-21-yl acetate (CAS: 56-47-3)?

The market for 3,20-Dioxopregn-4-en-21-yl acetate (CAS: 56-47-3) is primarily driven by its applications in pharmaceuticals and as an intermediate in steroid synthesis. Recent research trends indicate a focus on developing more sustainable and cost-effective synthesis methods. Additionally, there is growing interest in exploring its potential in other industries such as cosmetics and agriculture, driven by advances in biotechnology and synthetic chemistry.

How should waste containing 3,20-Dioxopregn-4-en-21-yl acetate (CAS: 56-47-3) be handled?

Waste containing 3,20-Dioxopregn-4-en-21-yl acetate (CAS: 56-47-3) should be collected in appropriate containers and handled according to local and national regulations. Incineration or professional waste disposal services are recommended for safe disposal. Environmental protection precautions must be taken to prevent contamination of soil and water. It is essential to follow best practices for waste management to ensure the safety and sustainability of these operations.