2-Propylpentanoic acid

Basic Information

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CAS Number

99-66-1

Molecular Formula

C8H16O2

Molecular Weight

144.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Melting Point

-21.25°C (estimate)

Boiling Point

220 °C

Density

0.9 g/mL at 25 °C

Solubility

H2O: slightly soluble

Refractive Index

n20/D 1.425(lit.)

SMILES

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CCCC(CCC)C(=O)O

InChI

InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)

InChIKey

NIJJYAXOARWZEE-UHFFFAOYSA-N

LogP

2.2874

pKa

4.6(at 25℃)

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

93.4

Safety Information

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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

H360 May damage fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 8 Class 8

Explosive Limit

1%(V)

Toxicity

LD50 orally in rats: 670 mg/kg (Jenner)

Synonyms & References

English

2-Propylpentanoic acid
Dipropylacetic acid
2,2-Di-n-propylacetic acid
2-Propylvaleric Acid
Valproic acid
Valproic acid solution
[14C]-Valproic acid
[3H]-Valproic acid
2,2-BIS(TRIFLUOROMETHYL)PROPIONIC ACID
2-propyl-pentanoic acid
Convulex
Depakene
Depakine
di-n-propyl-acetic acid
Ergenyl
Mylproin
sodium valproate
Valproate
VPA
2-Propylpentanoic Acid
Dipropylacetic Acid
Valproic Acid
2-propylpentanoic acid

MDL Number

MFCD00002672

Customs Code

2915600000

FAQ

What is 2-Propylpentanoic acid (CAS: 99-66-1)?

2-Propylpentanoic acid, with the CAS number 99-66-1, is a carboxylic acid containing a five-carbon chain with a propyl group attached to the second carbon. It is a colorless liquid with a characteristic odor, commonly used in chemical synthesis. It has a molecular formula of C8H16O2 and exhibits moderate solubility in water.

What are the main uses of 2-Propylpentanoic acid (CAS: 99-66-1)?

2-Propylpentanoic acid (CAS: 99-66-1) is primarily used in the synthesis of pharmaceuticals, particularly in the development of certain drugs. It also finds applications in the production of fragrances, coatings, and as a precursor in organic chemistry. Its use in research is common for studying chemical reactions and material properties.

Is 2-Propylpentanoic acid (CAS: 99-66-1) safe?

2-Propylpentanoic acid (CAS: 99-66-1) is generally considered safe when handled properly. However, it may cause irritation to the skin and eyes. It is important to follow standard safety protocols, such as using personal protective equipment (PPE), and to store it away from heat and incompatible substances to ensure safe handling and use.

How should 2-Propylpentanoic acid (CAS: 99-66-1) be stored?

2-Propylpentanoic acid (CAS: 99-66-1) should be stored in a cool, dry, and well-ventilated area, away from direct light. It is best kept in a sealed container made of glass or plastic to prevent contamination and evaporation. Maintaining storage conditions below 25°C and ensuring low humidity levels helps preserve its stability and prolong shelf life.