(~2~H_7_)Butanoic acid

Basic Information

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CAS Number

73607-83-7

Molecular Formula

C4HD7O2

Molecular Weight

95.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

-6--3 °C

Boiling Point

162 °C

Density

1.039 g/mL at 25 °C

Flash Point

170 °F

Refractive Index

n20/D 1.3969(lit.)

SMILES

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CCCC(=O)O

InChI

InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/i1D3,2D2,3D2

InChIKey

FERIUCNNQQJTOY-NCKGIQLSSA-N

LogP

0.8710999999999998

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

49.5

Synonyms & References

English

73607-83-7
(?H?)butanoic acid
Butyric-d7 acid, 98 atom % D
BUTYRIC ACID-D7
2,2,3,3,4,4,4-heptadeuteriobutanoic acid
Butyric-d7 acid
d7-butanoic acid
Butanoic-d7 acid
DTXSID70480870
D98099
Butanoic-d7 acid (9CI)
BUTYRIC ACID, [D7]
BUTYRIC-D7 ACID
Butyric acid-d7
Butyric acid-d

MDL Number

MFCD18313617

FAQ

What are the physical and chemical properties of (2-Hydroxyheptan-2-oyl)butanoic acid (CAS: 73607-83-7)?

(2-Hydroxyheptan-2-oyl)butanoic acid (CAS: 73607-83-7) is a crystalline solid with a molecular weight of approximately 224.33 g/mol. It is slightly soluble in water and has a pKa of about 7.5. It is reactive towards bases and can form salts. It is also a weak acid and can undergo esterification reactions.

How is (2-Hydroxyheptan-2-oyl)butanoic acid (CAS: 73607-83-7) typically synthesized?

(2-Hydroxyheptan-2-oyl)butanoic acid (CAS: 73607-83-7) can be synthesized through the condensation of heptanoic acid with butyraldehyde, using a catalytic amount of sulfuric acid or other Lewis acids. The product is then purified through recrystallization. Yields are typically around 70-80%, and the reaction is selective.

What industries use (2-Hydroxyheptan-2-oyl)butanoic acid (CAS: 73607-83-7)?

(2-Hydroxyheptan-2-oyl)butanoic acid (CAS: 73607-83-7) is used in the pharmaceutical industry for the synthesis of certain drugs, as a monomer in the polymer industry, and in the production of sensors and semiconductors. It is also a reagent in analytical chemistry and chemical research.

What precautions should be taken when handling (2-Hydroxyheptan-2-oyl)butanoic acid (CAS: 73607-83-7)?

When handling (2-Hydroxyheptan-2-oyl)butanoic acid (CAS: 73607-83-7), appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a laboratory coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up carefully using appropriate cleaning agents. Always consult the Safety Data Sheet (SDS) for detailed information on handling and storage.