ethyl methansulfonate ethyl methansulfonate

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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.