3,4-Dimethoxybenzoic acid

3,4-dimethoxybenzoic acid structural formula

Structural formula

Business number 025Q
Molecular formula C9H10O4
Molecular weight 182.17
label

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

None

Ecological data

None

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

None

Storage method

 ​ This product should be sealed and stored in a cool, dry place away from light.

Synthesis method

None

Purpose

For organic synthesis.

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