Structural formula
| Business number | 0682 |
|---|---|
| Molecular formula | C9H10O2 |
| Molecular weight | 150.17 |
| label |
2,3-dimethylbenzoic acid, vic.-o-Xylylic acid, (CH3)2C6H3CO2H |
Numbering system
CAS number:603-79-2
MDL number:MFCD00002479
EINECS number:210-058-0
RTECS number:DG8734000
BRN number:971590
PubChem number:24848235
Physical property data
Physical property data: 1. Appearance: white powder or crystal
2. Melting point (°C): 144.8
3. Crystalline phase standard combustion heat (enthalpy) (kJ·mol-1): -4520.31
4. Crystal phase standard claims heat (enthalpy) (kJ·mol-1): -450.41
Toxicological data
None
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 42.83
2. Molar volume (cm3/mol): 134.5
3. Isotonic specific volume (90.2K): 344.6
4. Surface tension (dyne/cm): 43.1
5. Polarizability (10-24cm3): 16.98
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: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 37.3
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 154
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
Properties and stability:
The product may not decompose under normal temperature and pressure.
Storage method
Storage:
Seal the container and store it in a sealed main container in a cool, dry place.
Synthesis method
None
Purpose
1. Uses
Intermediates for organic synthesis.
