4-Hydroxy-3-methoxymandelic acid
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
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.
extended-reading:https://www.bdmaee.net/dabco-t-45l-catalyst-cas121-143-5-evonik-germany/extended-reading:https://www.newtopchem.com/archives/40512extended-reading:https://www.newtopchem.com/archives/category/products/page/133extended-reading:https://www.newtopchem.com/archives/44745extended-reading:https://www.newtopchem.com/archives/759extended-reading:https://www.newtopchem.com/archives/44561extended-reading:https://www.newtopchem.com/archives/45025extended-reading:https://www.bdmaee.net/cas-26761-42-2/extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/37.jpgextended-reading:https://www.bdmaee.net/sponge-catalyst-smp/
