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.