Ethyl 4-methylbenzenesulfonate

Basic Information

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CAS Number

80-40-0

Molecular Formula

C9H12O3S

Molecular Weight

200.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

29-33 °C

Boiling Point

158-162 °C/10 mmHg

Density

1.174 g/mL at 25 °C

Solubility

1.24g/l

Refractive Index

n20/D 1.511(lit.)

SMILES

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CCOS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

InChIKey

VRZVPALEJCLXPR-UHFFFAOYSA-N

LogP

1.72022

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

232

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Moisture Sensitive

Synonyms & References

English

Ethyl 4-toluenesulfonate
CS-W015611
Ethyl p-toluenesulfonate, certified reference material, TraceCERT(R)
CCRIS 1028
A839902
FT-0626235
LS-154168
4-methyl-benzenesulfonic acid ethyl ester
Q27253524
ETHYL P-METHYLBENZENESULFONATE
Ethyl p-toluenesulfonate, 98%
T0268
Ethyl p-methyl benzenesulfonate
Ethyl 4-methylbenzenesulfonate
p-Toluolsulfonsaeure aethyl ester [German]
H11959
80-40-0
p-Toluenesulfonic Acid Ethyl Ester
DTXSID2058833
MFCD00009100
WLN: 2OSWR D1
Ethyl-p-toluenesulfonate
Ethyl p-tosylate
p-Toluolsulfonsaeure aethyl ester
toluene-4-sulfonic acid ethyl ester
4-11-00-00248 (Beilstein Handbook Reference)
ethyl p-toluene sulfonate
EINECS 201-276-7
ethyl p-toluensulfonate
ethyl 4-methylbenzene-1-sulfonate
NSC8887

MDL Number

MFCD00009100

Customs Code

29041000

FAQ

What is Ethyl 4-methylbenzenesulfonate (CAS: 80-40-0)?

Ethyl 4-methylbenzenesulfonate, also known as ethyl 4-methylbenzenesulfonate, is an organic sulfonate compound with the chemical formula C8H10O3S. It is a derivative of toluene sulfonic acid and is commonly used in chemical synthesis. The compound is a white solid at room temperature and is soluble in organic solvents. Its structure includes an ethyl group attached to a 4-methylbenzenesulfonate functional group, making it valuable in various industrial and research applications.

What are the main uses of Ethyl 4-methylbenzenesulfonate (CAS: 80-40-0)?

Ethyl 4-methylbenzenesulfonate is primarily used as an acylating agent in the synthesis of pharmaceuticals and organic compounds. It also finds applications in the production of surfactants, dyes, and polymers. In research settings, it is used for studying chemical reactivity and as a building block for more complex molecules. Additionally, it may be used in the fragrance and flavor industry due to its aromatic properties.

Is Ethyl 4-methylbenzenesulfonate (CAS: 80-40-0) safe?

Ethyl 4-methylbenzenesulfonate is generally considered safe when handled properly. However, it may cause skin and eye irritation, and prolonged exposure could lead to respiratory issues. As with many chemical compounds, it is important to follow safety guidelines, including wearing gloves, goggles, and a lab coat. It should be stored in a well-ventilated area and handled in accordance with OSHA and EPA regulations to ensure safe use in laboratories and industrial environments.

How should Ethyl 4-methylbenzenesulfonate (CAS: 80-40-0) be stored?

Ethyl 4-methylbenzenesulfonate should be stored in a cool, dry, and well-ventilated place, away from direct sunlight. It is recommended to keep it in a sealed container to prevent moisture absorption and maintain stability. Storage at temperatures below 25°C is ideal, and it should be kept in a fireproof cabinet to ensure safety. Avoid exposure to incompatible materials such as strong bases or oxidizers.