Ethyl (methylsulfonyl)acetate

Basic Information

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CAS Number

4455-15-6

Molecular Formula

C5H10O4S

Molecular Weight

166.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

111-113 °C/0.2 mmHg

Refractive Index

n20/D 1.456(lit.)

Vapor Pressure

0.0±0.6 mmHg at 25°C

SMILES

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CCOC(=O)CS(=O)(=O)C

InChI

InChI=1S/C5H10O4S/c1-3-9-5(6)4-10(2,7)8/h3-4H2,1-2H3

InChIKey

OCCWQCYBCZADCE-UHFFFAOYSA-N

LogP

-0.4058999999999999

Topological Polar Surface Area

60.440000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

198

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

AKOS005746174
methylsulphonyl-acetic acid ethyl ester
SCHEMBL6181
ETHYL 2-(METHANESULFONYL)ACETATE
4455-15-6
EINECS 224-702-3
US8UT6HL7W
AMY20507
AS-31188
ethyl 2-(methylsulfonyl)acetate
Ethyl methanesulfonylacetate
EN300-6497430
Acetic acid, 2-(methylsulfonyl)-, ethyl ester
ethyl(methylsulphonyl)acetate
NSC 227886
UNII-US8UT6HL7W
Ethyl methylsulfonylacetate, 97%
ethyl 2-methylsulfonylacetate
NS00031435
ethyl (methylsulfonyl)acetate
methanesulfonyl-acetic acid ethyl ester
Ethylmethylsulfonylacetate
CS-0128772
Ethyl methanesulphonyl acetate
NSC227886
ethyl(methylsulfonyl)acetate
MFCD00041258
A22154
ethyl 2-methanesulfonylacetate
Acetic acid, (methylsulfonyl)-, ethyl ester
ethyl methanesulphonylacetate

MDL Number

MFCD00041258

Customs Code

2915900090

FAQ

What regulatory guidelines apply to Ethyl (methylsulfonyl)acetate (CAS: 4455-15-6)?

Ethyl (methylsulfonyl)acetate (CAS: 4455-15-6) falls under the Global Harmonized System (GHS) for classification and labeling of chemicals. It is regulated under REACH in the European Union, which requires registration, authorization, and restriction of chemicals based on their risk to human health and the environment. In the United States, it is also subject to the Environmental Protection Agency (EPA) and Food and Drug Administration (FDA) regulations, particularly concerning its use in food and cosmetics.

Are there alternatives to Ethyl (methylsulfonyl)acetate (CAS: 4455-15-6) in synthesis?

Ethyl (methylsulfonyl)acetate can be synthesized using alternative reagents such as methyl methanesulfonate and acetic anhydride. Other analogs, such as ethyl (ethylsulfonyl)acetate, are also used in similar applications. These alternatives may offer different functionalities or synthetic routes depending on the specific requirements of the reaction.

What is the market or research trend for Ethyl (methylsulfonyl)acetate (CAS: 4455-15-6)?

The market for Ethyl (methylsulfonyl)acetate is driven by its applications in fragrance and flavor industries, as well as in synthetic chemistry. Recent research trends focus on developing safer and more sustainable alternatives, along with exploring its use in pharmaceuticals and personal care products. The demand is expected to grow due to increasing consumer awareness of product safety and environmental impact.

How should waste containing Ethyl (methylsulfonyl)acetate (CAS: 4455-15-6) be handled?

Waste containing Ethyl (methylsulfonyl)acetate should be collected in leak-proof containers and stored in a secure location. Proper disposal involves incineration or professional waste disposal services that follow environmental protection regulations. It is essential to ensure that all handling and disposal activities comply with local, national, and international environmental laws to minimize environmental impact.