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.