4-Methylsalicylic Acid 4-Methylsalicylic Acid
Structural formula
| Business number | 0149 |
|---|---|
| Molecular formula | C8H8O3 |
| Molecular weight | 152.15 |
| label |
2-Hydroxy-4-methylbenzoic acid, 4-Mesalic acid, 2-Hydroxy-4-methylbenzoic acid, m-Cresotic acid, CH3C6H3(OH)CO2H |
Numbering system
CAS number:50-85-1
MDL number:MFCD00002454
EINECS number:200-068-3
RTECS number:GP3920100
BRN number:2208140
PubChem number:24854681
Physical property data
1. Properties: White leaf-like crystals. Can evaporate with water vapor at the same time.
2. Density (g/mL, 15℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 152
5. Boiling point (ºC, normal pressure): Undetermined
6. Refractive index: Undetermined
7. Flash point (ºC): Not determined
8. Autoignition point or ignition temperature (ºC): Not determined
9. Specific rotation (º): Not determined
10. Vapor pressure (kPa, 25ºC): Undetermined
11. Saturated vapor pressure (kPa, 60ºC): Undetermined
12. Heat of combustion ( KJ/mol): Undetermined
13. Critical temperature (ºC): Undetermined
14. Critical pressure (KPa): Undetermined
15. The logarithmic value of the oil-water (octanol/water) distribution coefficient: Undetermined
16. Explosion upper limit (%, V/V): Undetermined
17. Explosion lower limit (%, V/V): Undetermined
18. Solubility: Easily soluble in hot water, soluble in ethanol, ether, chloroform and alkali hydroxide solution, slightly soluble in cold water.
Toxicological data
1. Acute toxicity: Mouse oral LD50: 1800mg/kg
Ecological data
None
Molecular structure data
1. Molar refractive index: 39.88
2. Molar volume (cm3/mol): 116.6
3. Isotonic specific volume (90.2K ): 322.0
4. Surface tension (dyne/cm): 58.0
5. Polarizability (10-24cm3): 15.81
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 3
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 12
6. Topological molecular polarity tableArea (TPSA): 57.5
7, Number of heavy atoms: 11
8, Surface charge: 0
9, Complexity: 155
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain atomic stereocenters: 0
13. The number of determined stereocenters of chemical bonds: 0
14. The number of uncertain stereocenters of chemical bonds: 0
15. The number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be sealed and stored away from light.
Synthesis method
None
Purpose
Research on inhibiting plant growth. Dye intermediates.
