Diethylacetic Acid

Basic Information

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CAS Number

88-09-5

Molecular Formula

C6H12O2

Molecular Weight

116.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

−16-−13 °C

Boiling Point

193°C

Density

0.92 g/mL at 25 °C

Water Solubility

18 g/L (20 ºC)

Solubility

18g/l

Refractive Index

n20/D 1.413(lit.)

Vapor Pressure

0.08 mmHg ( 20 °C)

SMILES

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CCC(CC)C(=O)O

InChI

InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

InChIKey

OXQGTIUCKGYOAA-UHFFFAOYSA-N

LogP

1.5072

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

74.6

Safety Information

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GHS Hazard Pictograms

H312

H315

H319

H335

Hazard Statement

H312 Harmful in contact with skin
Acute toxicity, dermal

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

Hazard Class

Class 8 Class 8

Explosive Limit

1.4%(V)

Synonyms & References

English

2-Ethylbutanoic acid
Pentane-3-carboxylic acid
Diethylacetic acid
2-Ethylbutyric acid
2-ethylbutyric
2-ethyl-butyricaci
2-Ethylbutyricaicd
2-ethyl-n-butyric acid
3-Pentanecarboxylic acid
diethyl-aceticaci
ethylbutanoic acid
FEMA 2429
α-Ethylbutyric acid 
Butyricacid, 2-ethyl- (6CI,7CI,8CI)
Butyric acid, a-ethyl- (3CI)
Acetic acid, diethyl-
NSC 11765
NSC 8758
a-Ethylbutyric acid
2-Ethylbutanoicacid
2-Ethylbutanoic acid (ACI)
Butyric acid, 2-ethyl- (6CI, 7CI, 8CI)
Butyric acid, α-ethyl- (3CI)
2-Ethyl-n-butyric acid
α-Ethylbutyric acid
2-ethylbutanoic acid

MDL Number

MFCD00002670

Customs Code

29159080

FAQ

What is Diethylacetic Acid (CAS: 88-09-5)?

Diethylacetic Acid, with the CAS number 88-09-5, is a chemical compound with the molecular formula C6H12O2. It is a colorless liquid that is soluble in water and organic solvents. This compound is known for its mild acidic properties and is commonly used as an intermediate in organic synthesis. It has a characteristic ester-like odor and is typically stored under controlled conditions due to its reactivity.

What are the main uses of Diethylacetic Acid (CAS: 88-09-5)?

Diethylacetic Acid is widely used in pharmaceuticals as a building block for drug development. It also serves as a solvent and intermediate in industrial processes. In the food industry, it is used as a flavoring agent. Additionally, it plays a role in research applications, particularly in the synthesis of other organic compounds. Its versatility makes it valuable across multiple sectors, including chemical manufacturing and laboratory settings.

Is Diethylacetic Acid (CAS: 88-09-5) safe?

Diethylacetic Acid is generally considered safe when handled properly, but it should be treated with caution. It may cause skin and eye irritation, and inhalation of its vapors can be harmful. Proper protective equipment, such as gloves and goggles, is recommended during handling. Safety standards advise working in well-ventilated areas and following standard chemical safety protocols to minimize exposure risks.

How should Diethylacetic Acid (CAS: 88-09-5) be stored?

Diethylacetic Acid should be stored in a cool, dry, and well-ventilated area away from strong oxidizers and incompatible materials. It is typically kept in a sealed container in a refrigerator at 2–8°C to maintain stability. Avoid exposure to light and ensure storage conditions prevent contamination. Always follow manufacturer guidelines for safe handling and storage to preserve the compound's integrity and ensure safety.