3,4-Dimethoxybenzoic acid

2024-05-17by admin0

3,4-dimethoxybenzoic acid structural formula

Structural formula

Business number 025Q
Molecular formula C9H10O4
Molecular weight 182.17

3,4-Dimethoxybenzoic acid,

veratrid acid,

3,4-dimethoxyformic acid,

3,4-Dimethoxybenzoic acid,

3,4-dimethoxybenzoic acid,

veratrumenoic acid,

3,4-Dimethylprotocatechuic acid

Numbering system

CAS number:93-07-2

MDL number:MFCD00002500

EINECS number:202-215-7

RTECS number:DG8598750

BRN number:518285

PubChem number:24893253

Physical property data

1. Character:Acicular or prismatic crystals. Odorless. Can sublimate (rhombus crystal)

2. Density (g/mL,25/4℃): Undetermined

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

4. Melting point (ºC): 180181 (anhydrous).

5. Boiling point (ºC,Normal pressure):272

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 partition coefficient (water): undetermined

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

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

19. Solubility: Soluble in ether, benzene and carbon disulfide, slightly soluble in ethanol, almost insoluble in water.

Toxicological data


Ecological data


Molecular structure data

1. Molar refractive index: 46.53

2. Molar volume (m3/mol):149.9

3. isotonic specific volume (90.2K):382.7

4. Surface Tension (dyne/cm):42.4

5. Polarizability10-24cm3):18.44

Compute chemical data

1 , Reference value for hydrophobic parameter calculation (XlogP): 1.6

2 , Number of hydrogen bond donors: 1

3 , Number of hydrogen bond acceptors: 4

4 , Number of rotatable chemical bonds: 3

5 , Number of tautomers:

6 Topological molecular polar surface area ( TPSA): 55.8

7 , Number of heavy atoms: 13

8 , Surface charge: 0

9 , Complexity: 181

10 , Isotope atomic number: 0

11 , Determine the number of atomic stereocenters: 0

12 , Uncertain number of atomic stereocenters: 0

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 and stored in a cool, dry place away from light.

Synthesis method



For organic synthesis.


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