o-ethoxybenzoic acid

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:134-11-2

MDL number:MFCD00002438

EINECS number:205-130-3

RTECS number:None

BRN number:2691039

PubChem number:24848556

Physical property data

Melting point (ºC): 20.7

Boiling point (ºC): 211.5³⁹

Toxicological data

None

Ecological data

None

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 44.49

2. Molar volume (cm³/mol): 142.4

3. Isotonic specific volume (90.2K): 365.8

4. Surface tension (3.0 dyne/cm): 43.4

5. Polarizability (0.5 10 ^-24cm³): 17.63

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: 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: 12

8. Surface charge: 0

9. Complexity: 156

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

Basic properties

Colorless oily liquid. Slightly evaporates with water vapor. Soluble in hot water, slightly soluble in ethanol and cold water. Relative density 1.105. Melting point: 19.3~19.5℃. Boiling point: 174°C (1.99kPa). Refractive index 1.5400. Flash point＞112℃.

Storage method

Storage

Keep sealed in a cool place

Synthesis method

None

Purpose

Usage

Used in organic synthesis.