(S)-1-Phenylethanesulfonic Acid

Basic Information

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CAS Number

86963-38-4

Molecular Formula

C8H10O3S

Molecular Weight

186.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Density

1.315±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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CC(c1ccccc1)S(=O)(=O)O

InChI

InChI=1S/C8H10O3S/c1-7(12(9,10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,9,10,11)/t7-/m0/s1

InChIKey

COFMBBYARPOGBA-ZETCQYMHSA-N

LogP

1.6354000000000002

Topological Polar Surface Area

54.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

221

Synonyms & References

English

(-)-1-Phenylethanesulfonic acid
(s)-1-phenylethanesulfonic acid
(1S)-1-phenylethanesulfonic acid
[S,(?)]-1-Phenylethanesulfonic acid

FAQ

What are the physical and chemical properties of (S)-1-Phenylethanesulfonic Acid (CAS: 86963-38-4)?

(S)-1-Phenylethanesulfonic Acid has a crystalline form, with a molecular weight of approximately 168.23 g/mol. It is slightly soluble in water and soluble in organic solvents. Chemically, it reacts readily with bases and has a pKa of about 1.7.

How is (S)-1-Phenylethanesulfonic Acid (CAS: 86963-38-4) typically synthesized?

(S)-1-Phenylethanesulfonic Acid is commonly synthesized through the sulfonation of 1-phenylethanol using sulfur trioxide. The reaction is conducted under acidic conditions, and typical yields range from 70% to 85%. High selectivity for the (S) enantiomer is achieved using chiral catalysts.

What industries use (S)-1-Phenylethanesulfonic Acid (CAS: 86963-38-4)?

(S)-1-Phenylethanesulfonic Acid finds applications in pharmaceuticals, where it is used as an intermediate in the synthesis of chiral drugs. It is also utilized in the production of certain polymers and in the development of sensors and semiconductors.

What precautions should be taken when handling (S)-1-Phenylethanesulfonic Acid (CAS: 86963-38-4)?

When handling (S)-1-Phenylethanesulfonic Acid, wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a well-ventilated area or fume hood to prevent inhalation. In the event of a spill, use appropriate spill cleanup materials and refer to the safety data sheet (SDS) for detailed instructions.