structural formula

business number	016r
molecular formula	c9h10o5
molecular weight	198.17
label	3-methoxy-4-hydroxymandelic acid, α,4-dihydroxy-3-methoxybenzeneacetic acid, vanillomandelic acid, vanillylmandelic acid, vanilmandelic acid, vma

• 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: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

none

ecological data

none

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. polarizability（10^-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

none

storage method

this product should be sealed in0℃the following store dry and away from light.

synthesis methodlaw

none

purpose

for biochemical research.

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