4-methylsalicylic 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: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.

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