Dimethyl 2-acetylsuccinate

Basic Information

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CAS Number

10420-33-4

Molecular Formula

C8H12O5

Molecular Weight

188.18 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

Basic Physical Properties

Melting Point

33 °C

Boiling Point

200°C

Solubility

30g/l OECD Test Guideline 105

SMILES

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

InChI

InChI=1S/C8H12O5/c1-5(9)6(8(11)13-3)4-7(10)12-2/h6H,4H2,1-3H3

InChIKey

XREKLQOUFWBSFH-UHFFFAOYSA-N

LogP

-0.07230000000000025

Topological Polar Surface Area

69.67 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

221

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

Explosive Limit

0.72-11.1%(V)

Synonyms & References

English

A852261
Acetylsuccinic Acid Dimethyl Ester
Butanedioic acid, 2-acetyl-, 1,4-dimethyl ester
NCGC00248237-01
ACETOSUCCINIC ACID, DIMETHYL ESTER
Dimethyl acetylsuccinate
SUCCINIC ACID, ACETYL-, DIMETHYL ESTER
F0001-0096
dimethyl acetyl succinate
Q27283096
ACETYLSUCCINIC ACID, DIMETHYL ESTER
dimethyl acetyl-succinate
Dimethyl 2-acetylsuccinate
A1143
CHEMBL3184248
dimethyl 2-acetylbutanedioate
10420-33-4
Butanedioic acid, acetyl-, dimethyl ester
SCHEMBL446634
1,4-dimethyl 2-acetylbutanedioate
CAS-10420-33-4
EN300-36667
NCGC00254875-01
SY049532
EINECS 233-897-4
W-108821
InChI=1/C8H12O5/c1-5(9)6(8(11)13-3)4-7(10)12-2/h6H,4H2,1-3H3
LOE57K9I2C
AS-15166
DTXCID8021692
AKOS009158265

MDL Number

MFCD00008448

Customs Code

2917399090

FAQ

What regulatory guidelines apply to Dimethyl 2-acetylsuccinate (CAS: 10420-33-4)?

Dimethyl 2-acetylsuccinate (CAS: 10420-33-4) falls under various regulatory guidelines. Under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), it is classified based on its physical and chemical properties. In the European Union, it is regulated under REACH, requiring notification if it is present in products at above 1% and registration if above 1 ton/year. For use in the United States, it is subject to FDA regulations for food contact substances and EPA regulations for environmental protection.

Are there alternatives to Dimethyl 2-acetylsuccinate (CAS: 10420-33-4) in synthesis?

Alternatives to Dimethyl 2-acetylsuccinate (CAS: 10420-33-4) include other succinates and acetyl derivatives, such as dimethyl succinate and methyl 2-acetylsuccinate. These can serve similar functions in different synthetic pathways. Other common reagents include acetic anhydride and succinic anhydride, which can be used in various reactions to achieve similar outcomes.

What is the market or research trend for Dimethyl 2-acetylsuccinate (CAS: 10420-33-4)?

Dimethyl 2-acetylsuccinate (CAS: 10420-33-4) is increasingly being explored in research for its potential in pharmaceuticals and as a food additive. Market trends show a growing demand in the pharmaceutical sector for its use as a precursor in the synthesis of other compounds. Research is also focusing on its applications in cosmetics and as a stabilizer in food products, driven by regulatory trends and consumer health awareness.

How should waste containing Dimethyl 2-acetylsuccinate (CAS: 10420-33-4) be handled?

Waste containing Dimethyl 2-acetylsuccinate (CAS: 10420-33-4) should be collected in suitable, leak-proof containers and stored in a well-ventilated area away from incompatible substances. Proper incineration or professional waste disposal services should be used to ensure environmental protection. Precautions should include the use of personal protective equipment (PPE) and adherence to local, national, and international environmental regulations. It is crucial to consult the Material Safety Data Sheet (MSDS) for specific guidance on waste management and disposal procedures.