3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid

Basic Information

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CAS Number

5471-77-2

Molecular Formula

C7H12O4

Molecular Weight

160.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

250.5°C at 760 mmHg

Density

1.126

Flash Point

97.7℃

Refractive Index

1.444

SMILES

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CCOC(=O)C(C)(C)C(=O)O

InChI

InChI=1S/C7H12O4/c1-4-11-6(10)7(2,3)5(8)9/h4H2,1-3H3,(H,8,9)

InChIKey

WDWFSABLPAHCPF-UHFFFAOYSA-N

LogP

0.6602999999999999

Topological Polar Surface Area

63.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

171

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

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

Synonyms & References

English

3-ethoxy-2,2-dimethyl-3-oxopropanoic acid
EN300-121066
3-(ethyloxy)-2,2-dimethyl-3-oxopropanoic acid
3-ethoxy-2,2-dimethyl-3-oxo-propionic acid
2,2-dimethyl-malonic acid monoethyl ester
J-512400
AKOS006279790
SCHEMBL1299895
Dimethylmalonsaureathylester
Z1198163718
FT-0648259
DIMETHYLMALONIC ACID MONOETHYL ESTER
GS-4383
Propanedioic acid, 2,2-dimethyl-, 1-ethyl ester
2,2-dimethylmalonic acid monoethyl ester
AM20080708
WDWFSABLPAHCPF-UHFFFAOYSA-N
5471-77-2
MFCD04003823
NSC28452
A7954
3-ethoxy-2,2-dimethyl-3-oxopropionic acid
NSC 28452
SY018092
3-ethoxy-2,2-dimethyl-3-oxopropanoicacid
3-Ethoxy-2,2-dimethyl-3-oxo-propanoic acid
3-ethoxy-2,2-dimethyl-3-oxopropanoic acid;Dimethylmalonic Acid Monoethyl Ester
CS-M2955
NSC-28452
DTXSID00282849
3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid

MDL Number

MFCD04003823

Customs Code

2918990090

FAQ

What regulatory guidelines apply to 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid (CAS: 5471-77-2)?

3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid (CAS: 5471-77-2) falls under various regulatory guidelines, including the Globally Harmonized System of Classification and Labeling of Chemicals (GHS) for classification and labeling, REACH regulations for European manufacturers and importers, and FDA and EPA guidelines in the United States. Specific handling and disposal requirements must be adhered to based on its classification as a potentially hazardous substance.

Are there alternatives to 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid (CAS: 5471-77-2) in synthesis?

Alternatives to 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid (CAS: 5471-77-2) in synthesis include other carboxylic acids, esters, or isomers such as 2,2-dimethyl-3-oxopropanoic acid. Commonly, reagents like acetic anhydride or ethyl acetate are used as substitutes in similar reactions depending on the desired product and reaction conditions.

What is the market or research trend for 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid (CAS: 5471-77-2)?

The market for 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid (CAS: 5471-77-2) is driven by its application in pharmaceuticals and as an intermediate in organic synthesis. Research trends focus on its use in developing new drug molecules and improving synthesis methods. The demand is likely to grow with advancements in drug discovery and the need for efficient synthetic routes.

How should waste containing 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid (CAS: 5471-77-2) be handled?

Waste containing 3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid (CAS: 5471-77-2) should be collected in sealed, labeled containers. Proper incineration or professional waste disposal services should be utilized to ensure compliance with environmental regulations. Precautions include minimizing exposure and ensuring all safety protocols are followed to prevent environmental contamination and health hazards.