2,4,6-trimethylbenzaldehyde

2,4,6-Trimethylbenzaldehyde Structural Formula

2,4,6-Trimethylbenzaldehyde Structural Formula

Structural formula

Business number 053D
Molecular formula C10H12O
Molecular weight 148.20
label

Mesitaldehyde

Numbering system

CAS number:487-68-3

MDL number:MFCD00003341

EINECS number:207-662-1

RTECS number:CU8500000

BRN number:1364114

PubChem number:24882997

Physical property data

1. Character: colorless liquid


2. Density (g/ m3,25/4): 1.005


3. Relative vapor density (g/cm3,Air=1): Undetermined


4. Melting point (ºC):10-12


5. Boiling point (ºC,Normal pressure):237


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


7. Refractive index:1.553


8. Flash Point (ºF):222


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 for water: undetermined


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


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


19. Solubility: soluble in benzene, toluene

Toxicological data

Mutagenicity data: sister chromatidsexchangeTESTSystem: Human lymphocytes,500umol/L.

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1 Molar refractive index:44.48


2 Molar volume m3/mol)149.9


3 Isotonic specific volume (90.2K):365.2


4 Surface Tensiondyne/cm35.2


5 Polarizability10-24cm3 )18.82

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.5

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 1

5. Number of tautomers: 4

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 130

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Keep sealed in a ventilated, dry environment

Synthesis method

The preparation method is to drop 1,3,5-trimethylbenzene into the solution containing Cu(CO)+4catalyst solution and pass CO, react at 25°C to obtain the product.

Purpose

2,4,6-Trimethylbenzaldehyde is an intermediate of the herbicide trimethoprim.
Can be used in organic synthesis, and can be used to prepare medicines and other fine chemical products.

Resource:allhdi.com

BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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