BDMAEE

Structural formula

Business number	01CC
Molecular formula	C3H8O3S
Molecular weight	124.16
label	Ethyl methanesulfonate, Ethyl mesylate, Methanesulfonic acid ethyl ester, CH3SO3CH2CH3

• 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.