Atorvastatin Impurity 53

Basic Information

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CAS Number

42558-54-3

Molecular Formula

C7H12O3

Molecular Weight

144.17 g/mol

EINECS

418-900-0

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

Basic Physical Properties

Melting Point

-75°C

Boiling Point

185.8°C at 760 mmHg

Density

1.013 g/mL at 20 °C

Water Solubility

43.6g/L at 20℃

Flash Point

79℃

Solubility

43.6g/l

Refractive Index

1.4265

Vapor Pressure

1.46hPa at 25℃

SMILES

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CC(C)C(=O)CC(=O)OC

InChI

InChI=1S/C7H12O3/c1-5(2)6(8)4-7(9)10-3/h5H,4H2,1-3H3

InChIKey

HNNFDXWDCFCVDM-UHFFFAOYSA-N

LogP

0.7746

pKa

10.59±0.46(Predicted)

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

138

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Storage Conditions

Store below +30°C.

Sensitiveness

Sensitive to humidity

Explosive Limit

1.29%(V)

Synonyms & References

English

Q-201378
Methyl 4-methyl-3-oxovalerate
EN300-21076
42558-54-3
AC7507
BP-11277
DTXSID40374974
methyl 4-methyl-3-oxopentanoate
4-Methyl-3-oxovaleric Acid Methyl Ester
4-methyl-3-oxopentanic acid methyl ester
Isobutyrylacetic Acid Methyl Ester
EC 418-900-0
Methyl isobutyrylacetate
Iso-butyryl methyl acetate
HNNFDXWDCFCVDM-UHFFFAOYSA-N
I0592
Methyl 4-methyl-3-oxovalerate (IBEM)
FT-0627387
-2,2-dimethyl-1,3-dioxane-4-Acetate
F0001-1182
CS-0015396
AC-7751
4-methyl-3-oxo-pentanoic acid methyl ester
methyl 4-methyl-3-oxo-pentanoate
MFCD00040499
FT-0695951
methyl-4-methyl-3-oxopentanoate
methyl 4-methyl-3oxopentanoate
BCP13418
SY001966
NS00077949

MDL Number

MFCD00040499

EC Number

418-900-0

Customs Code

2915390090

FAQ

What is Atorvastatin Impurity 53 (CAS: 42558-54-3)?

Atorvastatin Impurity 53, with the CAS number 42558-54-3, is a chemical compound identified as an impurity in the production of atorvastatin, a widely used statin medication for lowering cholesterol. It is typically a white to off-white crystalline solid with a molecular formula of C21H26O5 and is used primarily in pharmaceutical quality control and research to ensure drug purity and safety.

What are the main uses of Atorvastatin Impurity 53 (CAS: 42558-54-3)?

Atorvastatin Impurity 53 is mainly used in the pharmaceutical industry for the identification and quantification of impurities during the manufacturing and quality control of atorvastatin. It is also employed in research settings to study degradation pathways, stability, and the impact of impurities on drug efficacy and safety.

Is Atorvastatin Impurity 53 (CAS: 42558-54-3) safe?

Atorvastatin Impurity 53 is generally considered safe when handled according to standard laboratory procedures. However, as with any chemical, it should be handled with care, using appropriate personal protective equipment (PPE) such as gloves and goggles. Safety data sheets (SDS) recommend avoiding prolonged exposure and ensuring proper disposal to meet regulatory standards.

How should Atorvastatin Impurity 53 (CAS: 42558-54-3) be stored?

Atorvastatin Impurity 53 should be stored in a cool, dry, and dark place, ideally at 2-8°C. It is best kept in a sealed container to prevent moisture and contamination. Avoid exposure to light and ensure storage conditions are stable to maintain its chemical integrity and purity over time.