4-Ethylbenzenesulfonic acid

Basic Information

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CAS Number

98-69-1

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

Boiling Point

°Cat760mmHg

Density

1.229 g/mL at 25 °C

Refractive Index

n20/D 1.5331(lit.)

SMILES

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CCC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C8H10O3S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H,9,10,11)

InChIKey

BRIXOPDYGQCZFO-UHFFFAOYSA-N

LogP

1.4957

Topological Polar Surface Area

54.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

219

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Stability

Stability Combustible. Incompatible with strong oxidizing agents, strong bases.

Synonyms & References

English

4-Ethylbenzenesulfonicacid
p-Ethylbenzenesulphonic acid
W-100069
2-[(5-bromo-2-hydroxy-phenyl)methyl-[2-[(5-bromo-2-hydroxy-phenyl)methyl-(carboxymethyl)amino]ethyl]amino]acetic acid
Ethylbenzenesulphonic acid
CAS-98-69-1
NS00040539
MFCD00009800
SCHEMBL93796
CS-0069969
Tox21_112365
XIG6VCJ1KC
57352-34-8
CHEMBL3188767
Q27293854
Benzenesulfonic acid, p-ethyl-
Benzenesulfonic acid, 4-ethyl-
DTXSID4046571
4-Ethylbenzenesulfonic acid, technical grade, 95%
4-ethylphenylsulfonic acid
4-Ethylbenzenesulfonic'acid
98-69-1
HSDB 5320
Phenylethane-p-sulfonate
4-ethylbenzenesulonic acid
UNII-XIG6VCJ1KC
AS-81433
AKOS009031461
FT-0618402
AMY6095
p-Ethylbenzenesulfonic acid

MDL Number

MFCD00009800

Customs Code

2904100000

FAQ

What is 4-Ethylbenzenesulfonic acid (CAS: 98-69-1)?

4-Ethylbenzenesulfonic acid (CAS: 98-69-1) is an organic compound with the molecular formula C9H11O3S. It is a sulfonic acid derivative of toluene with an ethyl group attached to the para position. This compound is often used as a reagent in organic synthesis and as a pH indicator.

What are the main uses of 4-Ethylbenzenesulfonic acid (CAS: 98-69-1)?

4-Ethylbenzenesulfonic acid (CAS: 98-69-1) is primarily used as a reagent in organic synthesis, particularly in the preparation of various organic compounds. It also serves as a pH indicator in analytical chemistry and can be used in the production of certain pharmaceuticals and dyes.

Is 4-Ethylbenzenesulfonic acid (CAS: 98-69-1) safe?

4-Ethylbenzenesulfonic acid (CAS: 98-69-1) is generally considered safe when handled with proper precautions. However, it is corrosive and can irritate the skin and eyes. It is important to use appropriate personal protective equipment (PPE) such as gloves and safety goggles. Exposure to skin should be avoided, and it should be stored in a cool, dry place away from direct sunlight.

How should 4-Ethylbenzenesulfonic acid (CAS: 98-69-1) be stored?

4-Ethylbenzenesulfonic acid (CAS: 98-69-1) should be stored in a cool, dry place at a temperature not exceeding 25°C. It should be kept away from direct sunlight and sources of ignition. The container should be tightly sealed to prevent evaporation and exposure to air. It is recommended to store it in a well-ventilated area away from incompatible materials such as strong oxidizers and bases.