Cyclohexyl p-toluenesulfonate

Basic Information

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CAS Number

953-91-3

Molecular Formula

C13H18O3S

Molecular Weight

254.35 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

43.0 to 47.0 deg-C

Boiling Point

382.1°C at 760 mmHg

Density

1.19

Flash Point

184.9°C

Refractive Index

1.549

SMILES

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CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2

InChI

InChI=1S/C13H18O3S/c1-11-7-9-13(10-8-11)17(14,15)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3

InChIKey

OHHPZPDQZMUTCA-UHFFFAOYSA-N

LogP

3.0330200000000014

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

317

Synonyms & References

English

Cyclohexyl 4-methylbenzenesulfonate
Cyclohexyl p-tosylate~p-Toluenesulphonic acid cyclohexyl ester
Cyclohexyl p-Toluenesulfonate
((4-methylbenzenesulfonyl)oxy)cyclohexane
Benzenesulfonic acid,4-methyl-,cyclohexyl ester
cyclohexanol tosylate
Cyclohexyl toluenesulfonate
CYCLOHEXYL TOSYLATE
cyclohexyl-p-tosylate
p-Toluenesulfonic acid,cyclohexyl ester
toluene-4-sulfonic acid cyclohexyl ester
Tosyloxycyclohexane
p-Toluenesulfonic Acid Cyclohexyl Ester
Benzenesulfonic acid, 4-methyl-, cyclohexyl ester
Cyclohexyl p-toluenesulphonate
p-Toluenesulfonic acid, cyclohexyl ester
OHHPZPDQZMUTCA-UHFFFAOYSA-N
cyclohexyl 4-methylbenzene-1-sulfonate
Benzenesulfonic acid, cyclohexyl ester
Cyclohexylp-toluenesulfonate
Cyclohexyl-p-toluene sulfonate
cyclohexyltosylate
Cyclohexyl p-tosylate
Cyclohexanol, p-toluenesulfonate (6CI, 7CI)
p-Toluenesulfonic acid, cyclohexyl ester (8CI)
Cyclohexyl 4-toluenesulfonate
Cyclohexyl p-methylbenzenesulfonate
Cyclohexyl p-toluenesulfonate
Cyclohexyl tosylate
NSC 122484
NSC 127370

MDL Number

MFCD00014291

Customs Code

2906199090

FAQ

What are the physical and chemical properties of Cyclohexyl p-toluenesulfonate (CAS: 953-91-3)?

Cyclohexyl p-toluenesulfonate (CAS: 953-91-3) is a white crystalline solid with a molecular weight of approximately 226.24 g/mol. It has a melting point of 52-54°C and low solubility in water but is soluble in organic solvents. It is moderately reactive and can undergo sulfonation reactions easily.

How is Cyclohexyl p-toluenesulfonate (CAS: 953-91-3) typically synthesized?

Cyclohexyl p-toluenesulfonate is typically synthesized by the sulfonation of p-toluenesulfonic acid with cyclohexanol. The process involves the use of a sulfuric acid catalyst and takes place at a temperature of around 120°C. High selectivity and yield are achieved under these conditions.

What industries use Cyclohexyl p-toluenesulfonate (CAS: 953-91-3)?

Cyclohexyl p-toluenesulfonate (CAS: 953-91-3) is primarily used in the pharmaceutical and polymer industries. It serves as a sulfonating agent and is also used in the production of surfactants and as a reagent in organic synthesis.

What precautions should be taken when handling Cyclohexyl p-toluenesulfonate (CAS: 953-91-3)?

When handling Cyclohexyl p-toluenesulfonate (CAS: 953-91-3), appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a fume hood. Spills should be cleaned up with caution, and the Material Safety Data Sheet (MSDS) should be consulted for detailed safety information.