Ethyl (methylsulphonyl)acetate supplier

Name
ETHYL METHANESULFONYLACETATE
EINECS 224-702-3
CAS No. 4455-15-6
Article Data9
CAS DataBase
Density 1.225 g/cm³
Solubility
Melting Point
Formula C₅H₁₀O₄S
Boiling Point 305.1 °C at 760 mmHg
Molecular Weight 166.198
Flash Point 138.3 °C
Transport Information
Appearance
Safety 23-24/25
Risk Codes 36/38
Molecular Structure
Hazard Symbols Xi
Synonyms Aceticacid, (methylsulfonyl)-, ethyl ester (7CI,8CI,9CI);(Methylsulfonyl)acetic acidethyl ester;Ethyl (methylsulfonyl)acetate;Ethyl 2-(methanesulfonyl)acetate;Ethyl 2-methylsulfonylacetate;Ethyl methanesulfonylacetate;NSC 227886;
PSA 68.82000
LogP 0.67490

Ethyl (methylsulphonyl)acetate Specification

This chemical is called Ethyl (methylsulphonyl)acetate, and its CAS registry number is 4455-15-6. With the molecular formula of C₅H₁₀O₄S, its molecular weight is 166.20. In addition, this chemical should be sealed in the cool and dry place.

Other characteristics of the Ethyl (methylsulphonyl)acetate can be summarised as followings: (1)ACD/LogP: -0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.23; (4)ACD/LogD (pH 7.4): -0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.83; (8)ACD/KOC (pH 7.4): 17.83; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 68.82 Å²; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 35.86 cm³; (15)Molar Volume: 135.5 cm³; (16)Polarizability: 14.21×10^-24cm³; (17)Surface Tension: 39 dyne/cm; (18)Density: 1.225 g/cm³; (19)Flash Point: 138.3 °C; (20)Enthalpy of Vaporization: 54.55 kJ/mol; (21)Boiling Point: 305.1 °C at 760 mmHg; (22)Vapour Pressure: 0.000839 mmHg at 25°C.

Uses of this chemical: The Ethyl (methylsulphonyl)acetate could react with quinoline 1-oxide, and obtain the methanesulfonyl-quinolin-2-yl-acetic acid ethyl ester. This reaction needs the reagent of acetic anhydride, and the solvent of 1,2-dimethoxy-ethane. The yield is 61 %. This reaction needs the ambient temperature.

When you are using this chemical, please be cautious about it as the following: Do not breathe vapour. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)CS(=O)(=O)C
2.InChI: InChI=1/C5H10O4S/c1-3-9-5(6)4-10(2,7)8/h3-4H2,1-2H3
3.InChIKey: OCCWQCYBCZADCE-UHFFFAOYAQ

Product Name

ETHYL METHANESULFONYLACETATE

Ethyl (methylsulphonyl)acetate Specification

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