Methyl Acetoacetate

Basic Information

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CAS Number

105-45-3

Molecular Formula

C5H8O3

Molecular Weight

116.12 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

−80 °C

Boiling Point

169-170 °C/70 mmHg

Water Solubility

460 g/L (20 ºC)

Solubility

460 g/L (20°C)

Refractive Index

n20/D 1.419(lit.)

Vapor Pressure

1.5±0.3 mmHg at 25°C

SMILES

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COC(=O)CC(=O)C

InChI

InChI=1S/C5H8O3/c1-4(6)3-5(7)8-2/h3H2,1-2H3

InChIKey

WRQNANDWMGAFTP-UHFFFAOYSA-N

LogP

0.13849999999999996

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

106

Safety Information

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GHS Hazard Pictograms

H319

Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Sensitiveness

Sensitive to moisture

Explosive Limit

1.3-14.2%(V)

Toxicity

LD50 orally in rats: 3.0 g/kg (Smyth, Carpenter)

Synonyms & References

English

Methyl acetoacetate
MAA
ACM
HYL ACETOACETATE
mthyl acetoacetate
METHYL ACETOACETAT
METHYL 3-OXOBUTYRATE
ACETYL METHYL ACETATE
METHYL 4-OXOBUTANOATE
3-Oxobutanoic Acid M
3-Oxobutanoic Acid Methyl Ester
Methyl 3-oxobutanoate
3-Oxobutyric acid methyl ester
Acetoacetic Acid Methyl Ester
Acetoacetic ac
Methyleacetoacetate
Methyl acetylacetate
Methyl 3-Oxobutyrate
3-Oxobutyric Acid Methyl Ester
3-Oxobutanoic acid methyl ester
METHYL ACETOACETATE
methyl 3-oxobutanoate

MDL Number

MFCD00008784

Customs Code

2918300090

FAQ

What is Methyl Acetoacetate (CAS: 105-45-3)?

Methyl Acetoacetate is an organic compound with the chemical formula C5H8O2. It is a colorless liquid known for its ketone and ester functional groups, characterized by a mild, fruity odor. This compound is commonly used as a building block in chemical synthesis and is recognized for its solubility in organic solvents. Its CAS number is 105-45-3, which identifies it uniquely in chemical databases.

What are the main uses of Methyl Acetoacetate (CAS: 105-45-3)?

Methyl Acetoacetate finds applications in pharmaceuticals as a precursor for drug synthesis, in industry as a solvent, and in research for organic reactions. It is also used in the production of flavoring agents and as a component in certain polymer formulations. Its versatility makes it valuable in chemical manufacturing and analytical processes. The CAS number 105-45-3 ensures its accurate identification across various sectors.

Is Methyl Acetoacetate (CAS: 105-45-3) safe?

Methyl Acetoacetate is generally considered safe when handled properly, but it has mild irritant properties. It is classified as a flammable liquid (UN No. 1983), so safety precautions include avoiding inhalation, skin contact, and eye exposure. Proper ventilation, protective gloves, and safety goggles are recommended. It is not classified as carcinogenic, but adherence to OSHA and GHS guidelines is essential for safe use.

How should Methyl Acetoacetate (CAS: 105-45-3) be stored?

Methyl Acetoacetate should be stored in a tightly sealed container in a cool, dry, and well-ventilated area, away from direct light. It is stable at room temperature (20-25°C) but may degrade if exposed to moisture or heat. Storage precautions include keeping it out of reach of children and ensuring compatibility with other chemicals. The CAS number 105-45-3 aids in proper storage identification and safety management.