2-(n-ethyl m-toluidino)ethanol

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:91-88-3

mdl number:mfcd00002849

einecs number:202-105-9

rtecs number:kl1320000

brn number:none

pubchem number:24847845

physical property data

1. properties: light yellow liquid

2. density (g/ml, 25/4℃): 1.019

3. relative vapor density (g/ml, air =1): undetermined

4. melting point (ºc): undetermined

5. boiling point (ºc, normal pressure): 220～221

6 . boiling point (ºc, 133.322pa): 114～115

7. refractive index: 1.5550

8. flash point (ºc): undetermined

9 . specific rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa, 25ºc): undetermined

12. saturated vapor pressure (kpa, 60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17. explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v): undetermined

19. solubility : soluble in benzene

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 56.19

2. molar volume (cm³/mol): 174.2

3. isotonic specific volume (90.2k ): 443.2

4. surface tension (dyne/cm): 41.8

5. polarizability (10^-24cm³):22.27

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 23.5

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 138

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine ��number of stereocenters of chemical bonds: 0

14. number of stereocenters of uncertain chemical bonds: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

this product should be kept sealed.

synthesis method

1. meta-toluidine method: prepared from meta-toluidine and ethyl iodide as raw materials.

2. n-ethyl m-toluidine method: it is prepared by reacting n-ethyl m-toluidine with chloroethanol (or ethylene oxide) as raw material.

purpose

dye intermediates. used to produce cationic dyes, such as cationic red 6b. it is also used as a raw material for the production of color developers and medicines.