2-Butyloctanoic acid

Basic Information

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CAS Number

27610-92-0

Molecular Formula

C12H24O2

Molecular Weight

200.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

230 °C

Refractive Index

n20/D 1.438(lit.)

SMILES

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CCCCCCC(CCCC)C(=O)O

InChI

InChI=1S/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)

InChIKey

OARDBPIZDHVTCK-UHFFFAOYSA-N

LogP

3.847800000000002

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

143

Safety Information

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Hazard Statement

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

Stability

Stable. Incompatible with strong oxidizing agents. Combustible.

Synonyms & References

English

Octanoic acid, 2-butyl-
2-BUTYLOCTANOIC ACID
2-Butyloctansaeure
5-Undecanecarboxylic acid

MDL Number

MFCD00661074

FAQ

What are the physical and chemical properties of 2-Butyloctanoic acid (CAS: 27610-92-0)?

2-Butyloctanoic acid is a colorless to white crystalline solid with a characteristic odor. Its molecular weight is approximately 194.29 g/mol. It is slightly soluble in water but soluble in common organic solvents like ethanol and acetone. Chemically, it is moderately reactive with bases to form salts and reacts with carboxylic acid derivatives like esters and anhydrides.

How is 2-Butyloctanoic acid (CAS: 27610-92-0) typically synthesized?

2-Butyloctanoic acid is usually synthesized via the ester hydrolysis of 2-butyloctanoyl chloride or by the direct reduction of 2-butyloctanone. The reaction typically involves refluxing the mixture in an aqueous base to hydrolyze the ester to the corresponding carboxylic acid, yielding high selectivity and good yield.

What industries use 2-Butyloctanoic acid (CAS: 27610-92-0)?

2-Butyloctanoic acid finds applications in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for the modification of polymer properties, and in the sensing industry for use in chemical sensors. It is also used in the production of certain esters and as a reagent in various organic syntheses.

What precautions should be taken when handling 2-Butyloctanoic acid (CAS: 27610-92-0)?

Handling 2-Butyloctanoic acid requires personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a cool, dry place away from direct sunlight and heat sources. Use a fume hood during handling to avoid inhalation. In case of spill, neutralize with an acid-base neutralizer and clean up with absorbent material. Refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.