4-Oxopentanoic acid

Basic Information

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CAS Number

123-76-2

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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

30-33 °C

Boiling Point

245-246 °C

Water Solubility

Soluble in water ( 675g/L at 20°C).

Solubility

675g/l

Refractive Index

1.4396-1.4426

Vapor Pressure

1 mmHg ( 102 °C)

SMILES

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CC(=O)CCC(=O)O

InChI

InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)

InChIKey

JOOXCMJARBKPKM-UHFFFAOYSA-N

LogP

0.4402

Topological Polar Surface Area

54.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

106

Safety Information

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GHS Hazard Pictograms

H302

H315

H319

H335

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

Hazard Class

Class 8 Class 8

Sensitiveness

Light Sensitive

Synonyms & References

English

Levulinic acid
2-Acetopropionicacid
3-acetyl-propionicaci
3-Keto-n-velericacid
4-Keto-n-valericacid
4-Oxo-pentanoic acid (levulinic acid)
4-oxo-pentanoicaci
4-oxovaleric
4-oxo-valericaci
laevulinic acid
4-Oxopentanoic acid
LEVULINIC ACID(RG)
3-Acetylpropionic Acid
4-Oxopentanoic acid,4-Oxovaleric acid
4-Oxovaleric Acid
gamma-Ketovaleric acid
Levulic acid
4-Oxo-pentanoic acid
LEVA
usafcz-1
levulinic
FEMA 2627
laevulicacid
LA
USAF cz-1
Laevulic acid
Laevulinic acid
4-Oxovaleric acid
levulic acid
4-oxopentanoic acid

MDL Number

MFCD00002796

Customs Code

2915509000

FAQ

What is 4-Oxopentanoic acid (CAS: 123-76-2)?

4-Oxopentanoic acid, with the CAS number 123-76-2, is a five-carbon carboxylic acid containing a ketone group at the fourth carbon position. Its chemical formula is C5H8O2. This compound is a white crystalline solid at room temperature and is known for its ability to undergo various chemical reactions, including esterification and reduction. It is commonly used as an intermediate in organic synthesis.

What are the main uses of 4-Oxopentanoic acid (CAS: 123-76-2)?

4-Oxopentanoic acid (CAS: 123-76-2) is primarily used in pharmaceutical research as a building block for drug development. It also serves as an industrial chemical in the production of polymers and specialty chemicals. In the food industry, it may be used as a flavoring agent. Additionally, it is valuable in organic chemistry for synthesizing other compounds and derivatives.

Is 4-Oxopentanoic acid (CAS: 123-76-2) safe?

4-Oxopentanoic acid (CAS: 123-76-2) is generally considered safe when handled properly. However, it may cause mild irritation to the skin and eyes. Safety data sheets recommend using personal protective equipment such as gloves and goggles. It is important to follow standard chemical safety protocols and ensure proper ventilation when working with this compound.

How should 4-Oxopentanoic acid (CAS: 123-76-2) be stored?

4-Oxopentanoic acid (CAS: 123-76-2) should be stored in a cool, dry, and well-ventilated place, away from direct sunlight. It is best kept in a sealed container to prevent moisture absorption and contamination. Storage at temperatures below 25°C is recommended to maintain stability and prolong shelf life.