2-Methyl-2-hydroxypropanoic acid ethyl ester Propanoic acid,2-hydroxy-2-methyl-,ethyl ester

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:80-55-7

MDL number:MFCD00004458

EINECS number:201-290-3

RTECS number:OD5672000

BRN number:878308

PubChem number:24894496

Physical property data

1. Properties: colorless or light yellow liquid with aromatic smell.

2. Relative density (g/mL, 20/4℃): 0.987

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

4. Melting point (ºC): Uncertain

5. Boiling point (ºC, normal pressure): 147.5~149

6. Boiling point (ºC, 5.2kPa): Uncertain

7. Refractive index (20ºC): 1.4080

8. Flash point (ºC, closed): 44

9. Specific rotation (º ): Uncertain

10. Autoignition point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 46ºC): 1.87

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. Log value of oil-water (octanol/water) partition coefficient: Uncertain

17. Explosion Upper limit (%, V/V): Uncertain

18. Lower explosion limit (%, V/V): Uncertain

19. Solubility: Can be mixed with alcohol, ether, etc. The main organic solvents are miscible. It can dissolve nitrocellulose, cellulose acetate, etc., but the dissolution rate is slow, and the viscosity of the resulting solution is smaller than amyl acetate and larger than ethyl lactate. The solubility is similar to that of ethyl lactate.

Toxicological data

Pig muscle LDLO: 2200mg/kg;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 33.12

2. Molar volume (cm³/mol): 128.6

3. Isotonic specific volume (90.2K ): 307.4

4. Surface tension (dyne/cm): 32.6

5. Polarizability (10^-24cm³): 13.13

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.4

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 3

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 46.5

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 107

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

1. It is not easily hydrolyzed and decomposes slightly at the boiling point.

2. Exist in mainstream smoke.

Storage method

Pay attention to fire sources and store in a cool and ventilated place.

Synthesis method

Refining method: Contains impurities such as free acid, alcohol and water. During refining, it is dried with anhydrous potassium carbonate or sodium sulfate and then distilled.

Purpose

Used in organic synthesis. Solvent for cellulose acetate and nitrocellulose. It is mainly used as a solvent for coatings. Due to its slow evaporation rate, it can be added to cellulose ester coatings to make the coating surface beautiful and have good brushing performance.