4-methylsalicylic acid

April 25, 2024by admin0

4-methylsalicylic acid structural formula

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.