2-(Methylphenylamino)ethanol 2-(Methylphenylamino)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:93-90-3

MDL number:MFCD00020572

EINECS number:202-285-9

RTECS number:KL7175000

BRN number:None

PubChem number:24874378

Physical property data

1. Properties: light yellow oily transparent liquid.

2. Density (g/mL, 25/4℃): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): Not determined

5. Boiling point (ºC, normal pressure): Not determined

6. Boiling point (ºC, 5.2kPa): Not determined Determined

7. Refractive index: Undetermined

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. Saturation 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. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Slightly soluble in water, soluble in ethanol and Ether.

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 46.73

2. Molar volume (cm³/mol): 141.4

3. Isotonic specific volume (90.2K ): 365.8

4. Surface tension (dyne/cm): 44.7

5. Polarizability (10^-24cm³): 18.52

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: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 23.5

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 99.7

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 sealed and stored away from light.

Synthesis method

It is prepared by hydroxylation of N-methylaniline and ethylene oxide. Add 105kg N-methylaniline to the reaction pot, heat to 130°C, and replace the air with nitrogen. At 150-152°C and below about 0.3MPa, feed 50kg of ethylene oxide in batches. After addition, keep the mixture at 150-155°C for 3 hours to obtain 150-155kg of N-hydroxyethyl-N-methylaniline.

Purpose

Dye intermediates. Can be used to synthesize cationic dyes, such as cationic pink FG. It is used for dyeing and printing of acrylic fiber and its blended fabrics, and also for dyeing of acetate fiber and polyvinyl chloride fiber.