Toluene diisocyanate manufacturer Knowledge Ethyl Methansulfonate Ethyl Methansulfonate

Ethyl Methansulfonate Ethyl Methansulfonate

Structural formula of ethyl methane sulfonate

Structural formula

Business number 01CC
Molecular formula C3H8O3S
Molecular weight 124.16
label

Ethyl methanesulfonate,

Ethyl mesylate,

Methanesulfonic acid ethyl ester,

CH3SO3CH2CH3

Numbering system

CAS number:62-50-0

MDL number:MFCD00007559

EINECS number:200-536-7

RTECS number:PB2100000

BRN number:773969

PubChem number:24896575

Physical property data

1. Appearance: Colorless transparent oily liquid

2. Density (g/mL, 20/4℃): 1.206

3. Relative vapor density (g/mL , air=1): Uncertain

4. Melting point (ºC): Uncertain

5. Boiling point (ºC, normal pressure): Uncertain

6. Boiling point (ºC, 10mmHg): 85-86(lit.)

7. Refractive index: n20/D 1.418(lit.)

8. Flash point (ºC): 100

9. Specific rotation (º): Uncertain

10. Autoignition point or ignition temperature (ºC ): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa): Uncertain

16. The logarithmic value of the oil-water (octanol/water) partition coefficient: Uncertain

17. The upper limit of explosion (%, V/V): Uncertain

18. Lower explosion limit (%, V/V): Uncertain

19. Solubility: Soluble in ether, ethanol, chloroform, slightly soluble in water.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 26.48

2. Molar volume (cm3/mol): 105.4

3. Isotonic specific volume (90.2K): 254.3

4. Surface tension (dyne/cm): 33.8

5. Polarizability (10-24cm3): 10.50

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 51.8

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 118

10. Number of isotope atoms: 0

11.Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

None yet

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

1. The methylsulfonyl chloride obtained by reacting dimethyl sulfate with sodium thiosulfate is esterified with ethanol to obtain ethyl methanesulfonate.

2. Preparation method:

Mix methanesulfonyl chloride (2) and absolute ethanol evenly, cool to 0°C, slowly add pyridine dropwise while stirring, and control the temperature of the reaction solution Not exceeding 10℃. After addition, acidify with hydrochloric acid and extract twice with diethyl ether. The ether layer was washed with water, washed with 5% sodium carbonate solution to pH 7-8, and dried over anhydrous sodium sulfate. After distilling off the ether, distill under reduced pressure and collect the fraction at 85-86°C/1.33kPa to obtain compound (1). [1]

Purpose

Used as a bacterial mutagen, as well as in organic synthesis and cancer research.

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