4-Hydroxy-3-methoxymandelic acid

2024-05-15by admin0

4-Hydroxy-3-methoxymandelic acid structural formula

Structural formula

Business number 016R
Molecular formula C9H10O5
Molecular weight 198.17

3-methoxy-4-hydroxymandelic acid,

α,4-Dihydroxy-3-methoxybenzeneacetic acid,

Vanillomandelic acid,

Vanillylmandelic acid,

Vanilmandelic acid,


Numbering system

CAS number:55-10-7

MDL number:MFCD00004235

EINECS number:200-224-0

RTECS number:None

BRN number:2213227

PubChem ID:None

Physical property data

1. Character:White scaly crystals or powder. It is easy to resinize when heated or exposed to air for a long time.

2. Density (g/mL,25/4): Undetermined

3. Relative vapor density (g/mL,AIR=1): Undetermined

4. Melting point (ºC):131~133(decomposition)

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,5.2kPa): Undetermined

7. Refractive index: undetermined

8. Flashpoint (ºC): Undetermined

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (kPa,25ºC): Undetermined

12. Saturated vapor pressure (kPa,60ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/ Log value of the partition coefficient (water): not determined

17. Explosion limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility: Easily soluble in acetone and water, slightly soluble in ether and acetonitrile, slightly soluble in benzene.

Toxicological data


Ecological data


Molecular structure data

1. Molar refractive index:47.46

2. Molar volume (m3/mol):137.5

3. isotonic specific volume (90.2K):392.7

4. Surface Tension (dyne/cm):70.9

5. Polarizability10-24cm3):13.00

Compute chemical data

1.   Hydrophobic parameter calculation reference value (XlogP): -0.2

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 5

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 3

6. Topological molecular polar surface area (TPSA):87

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 205

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 1

13. Determine the number of stereocenters of chemical bonds: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability


Storage method

This product should be sealed in0The following Store dry and away from light.

Synthesis methodLaw



For biochemical research.


Leave a Reply

Your email address will not be published. Required fields are marked *