3,3-Dimethyl-2-oxobutanoic acid

Basic Information

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CAS Number

815-17-8

Molecular Formula

C6H10O3

Molecular Weight

130.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

90.5°C

Boiling Point

80°C/15mmHg

Density

1.06

Flash Point

13 °C

Refractive Index

1.4270-1.4320

SMILES

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

InChI

InChI=1S/C6H10O3/c1-6(2,3)4(7)5(8)9/h1-3H3,(H,8,9)

InChIKey

IAWVHZJZHDSEOC-UHFFFAOYSA-N

LogP

0.6861999999999999

Topological Polar Surface Area

54.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

141

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H290 May be corrosive to metals
Corrosive to Metals

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

SCHEMBL271740
3,3-dimethyl-2-oxo-butanoicaci
BCP18772
Tox21_301454
TRIMETHYLPYRUVICACID
Q-201887
EINECS 212-418-2
NSC 16648
A840151
Butanoic acid,3-dimethyl-2-oxo-
3,3-Dimethyl-2-oxobutyric acid
Q27254409
IAWVHZJZHDSEOC-UHFFFAOYSA-N
Glyoxylic acid, tert-butyl-
3,3-Dimethyl-2-oxobutanoic acid
2-oxo-3,3-dimethylbutanoic acid
Trimethylpyruvic acid, AldrichCPR
2-oxo-3,3-dimethylbutyric acid
Z1187714783
CHEMBL3182620
AS-54581
CS-W005305
UNII-29CL615CLH
HSDB 5757
TRIMETHYLPYRUVIC ACID
SC1212
Butyric acid, 3,3-dimethyl-2-oxo-
FT-0657523
Butyric acid,3-dimethyl-2-oxo-
Trimethlpyruvic acid
3,3-dimethyl-2-oxo butyric acid

MDL Number

MFCD00154352

Customs Code

2918300090

FAQ

What is 3,3-Dimethyl-2-oxobutanoic acid (CAS: 815-17-8)?

3,3-Dimethyl-2-oxobutanoic acid (CAS 815-17-8) is a branched-chain carboxylic acid with a ketone group. Its chemical formula is C6H10O3, and it is a solid at room temperature. It exhibits moderate solubility in water and organic solvents, with a molecular weight of 130.14 g/mol. This compound is commonly used as an intermediate in organic synthesis due to its functional group versatility.

What are the main uses of 3,3-Dimethyl-2-oxobutanoic acid (CAS: 815-17-8)?

3,3-Dimethyl-2-oxobutanoic acid (CAS 815-17-8) is primarily used in pharmaceuticals as a building block for drug synthesis, particularly in the development of antibiotics and anti-inflammatory agents. It also serves as an industrial chemical intermediate for polymer production and research applications in metabolic pathway studies. Its unique structure makes it valuable in creating derivatives for specialized chemical applications.

Is 3,3-Dimethyl-2-oxobutanoic acid (CAS: 815-17-8) safe?

3,3-Dimethyl-2-oxobutanoic acid (CAS 815-17-8) is generally considered safe when handled following standard safety protocols. It may cause skin and eye irritation, so proper PPE like gloves and safety goggles is recommended. Inhalation should be avoided, and adequate ventilation is essential. Safety data sheets (SDS) should be consulted for detailed handling and disposal guidelines to ensure compliance with OSHA and EPA regulations.

How should 3,3-Dimethyl-2-oxobutanoic acid (CAS: 815-17-8) be stored?

3,3-Dimethyl-2-oxobutanoic acid (CAS 815-17-8) should be stored in a cool, dry, and dark place, ideally below 25°C. Keep in sealed, airtight containers to prevent moisture absorption and maintain stability. Avoid exposure to heat, humidity, and direct light to prevent degradation. Store away from incompatible materials to ensure long-term chemical integrity.