6-Hydroxy-2-hexanone

Basic Information

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CAS Number

21856-89-3

Molecular Formula

C6H12O2

Molecular Weight

116.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Melting Point

-3.75°C (estimate)

Boiling Point

212.22°C (estimate)

Refractive Index

1.4300

SMILES

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CC(=O)CCCCO

InChI

InChI=1S/C6H12O2/c1-6(8)4-2-3-5-7/h7H,2-5H2,1H3

InChIKey

UALYCKSVHDYQRP-UHFFFAOYSA-N

LogP

0.738

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

68.9

Synonyms & References

English

NS00026978
EN300-123553
FT-0648489
6-Hydroxyhexan-2-one
6-Hydroxy-2-hexanone #
F81214
TQ7W6X66DE
SCHEMBL96500
DTXSID10176260
NCI60_005921
EINECS 244-622-2
AKOS011305884
6-Hydroxy-hexan-2-one
CHEMBL1981716
2-Hexanone, 6-hydroxy-
NSC620043
CS-0514254
21856-89-3
NSC-620043
5-oxo-1-hexanol
6-Hydroxy-2-hexanone
6-hydroxy-2-hexanone
1-hydroxy-5-hexanone
2-Hexanone,6-hydroxy
6-Hydroxy-hexan-2-on

MDL Number

MFCD16165815

Customs Code

2914400090

FAQ

What are the physical and chemical properties of 6-Hydroxy-2-hexanone (CAS: 21856-89-3)?

6-Hydroxy-2-hexanone (CAS: 21856-89-3) is a clear, colorless liquid with a molecular weight of 110.14 g/mol. It has a low viscosity and a fruity odor. The compound is miscible with water and ethanol. It is slightly soluble in nonpolar solvents. It is reactive towards bases and can undergo hydrolysis under basic conditions. It is used in organic synthesis due to its reactivity and ease of manipulation.

How is 6-Hydroxy-2-hexanone (CAS: 21856-89-3) typically synthesized?

6-Hydroxy-2-hexanone can be synthesized by the reduction of 2-hexanone with sodium borohydride or a similar reducing agent. Another method involves the condensation of acetaldehyde and acetic anhydride followed by hydrolysis. This compound can also be prepared by the oxidation of 2-hexanol or the reduction of 6-nitro-2-hexanone. These processes yield good yields and controlled selectivity.

What industries use 6-Hydroxy-2-hexanone (CAS: 21856-89-3)?

6-Hydroxy-2-hexanone (CAS: 21856-89-3) is primarily used in the pharmaceutical industry for the synthesis of various drugs, as well as in the polymer industry for the production of certain polymers. It is also utilized in the synthesis of fragrances and flavorings, and in the production of sensors and semiconductors due to its reactivity and volatility.

What precautions should be taken when handling 6-Hydroxy-2-hexanone (CAS: 21856-89-3)?

When handling 6-Hydroxy-2-hexanone (CAS: 21856-89-3), it is important to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood due to its volatility. Spills should be cleaned up with caution, using appropriate spill kits, and the area should be ventilated thoroughly. Always refer to the Safety Data Sheet (SDS) for detailed information on handling and storage.