Hexyl methanesulfonate

Basic Information

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CAS Number

16156-50-6

Molecular Formula

C7H16O3S

Molecular Weight

180.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Boiling Point

90°C/2mmHg

Flash Point

121.7±18.7 ºC,

Refractive Index

1.4324 (589.3 nm 25 ºC)

SMILES

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CCCCCCOS(=O)(=O)C

InChI

InChI=1S/C7H16O3S/c1-3-4-5-6-7-10-11(2,8)9/h3-7H2,1-2H3

InChIKey

URIRDRHUUFRHAS-UHFFFAOYSA-N

LogP

1.5429

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

167

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

Synonyms & References

English

A883088
SCHEMBL322238
DTXSID90501076
Hexyl Methanesulfonate
N-Hexylmesylate,98 %
D70753
n-Hexylmesylate, 98 per cent
CS-0099480
C7H16O3S
MFCD00674707
Hexyl Methane Sulfate
AKOS006282983
DS-9797
SY037994
Methanesulfonic acid, hexyl ester
N367C6YQY7
UNII-N367C6YQY7
Hexyl mesylate
16156-50-6
Methanesulfonic Acid Hexyl Ester
H1282
Methanesulfonic acid,hexyl ester
n-Hexylmesylate
NULL
1-hexyl methanesulfonate
ACMC-209dmx
ANW-21943
CTK8B0921
hexyl mesylate
I14-55946
n-hexyl methanesulfonate

MDL Number

MFCD00674707

FAQ

What are the physical and chemical properties of Hexyl methanesulfonate (CAS: 16156-50-6)?

Hexyl methanesulfonate (CAS: 16156-50-6) is a clear, colorless to light yellow liquid with a molecular weight of approximately 174.23 g/mol. It has a high solubility in organic solvents such as ethanol, methanol, and acetone but is slightly soluble in water. Chemically, it is relatively stable, but it can undergo hydrolysis in the presence of water to form hexanol and methanesulfonic acid. Its melting point is around -24°C and boiling point at 146-148°C under atmospheric pressure.

How is Hexyl methanesulfonate (CAS: 16156-50-6) typically synthesized?

Hexyl methanesulfonate is typically synthesized by reacting hexanol with methanesulfonyl chloride in the presence of a base such as sodium hydroxide. The reaction proceeds via a nucleophilic substitution mechanism, where the hydroxyl group of hexanol is replaced by the methanesulfonate group. The yield is generally high, and the method is known for its good selectivity and operational simplicity.

What industries use Hexyl methanesulfonate (CAS: 16156-50-6)?

Hexyl methanesulfonate (CAS: 16156-50-6) finds applications in various industries. It is used in the pharmaceutical industry as a precursor for the synthesis of certain medicinal compounds. In the polymer industry, it serves as a functional monomer for the preparation of specialty polymers. Additionally, it is utilized in the semiconductor industry for the fabrication of electronic materials and in the sensor industry for improving the sensitivity of certain detection devices.

What precautions should be taken when handling Hexyl methanesulfonate (CAS: 16156-50-6)?

When handling Hexyl methanesulfonate (CAS: 16156-50-6), it is crucial to follow safety guidelines. Always wear appropriate personal protective equipment (PPE), including gloves, goggles, and protective clothing. Work within a well-ventilated area or in a fume hood to minimize exposure to fumes. Store the compound in a cool, dry place away from direct sunlight and heat sources. In case of a spill, use appropriate spill response equipment and refer to the Safety Data Sheet (SDS) for detailed instructions on cleanup and disposal.