2-methylacetophenone
Structural formula
| Business number | 05VC |
|---|---|
| Molecular formula | C9H10O |
| Molecular weight | 134.18 |
| label |
o-methylacetophenone, 2-methylacetophenone, 2′-Methylacetophenone, 2-Acetyltoluene, Methyl o-tolyl ketone, Polymerization photoinitiator, photosensitizer, aromatic compounds |
Numbering system
CAS number:577-16-2
MDL number:MFCD00008734
EINECS number:209-408-5
RTECS number:None
BRN number:907005
PubChem number:24884047
Physical property data
1. Properties: colorless liquid.
2. Boiling point (ºC, 101.3kPa): 214
3. Boiling point (ºC, 1.3kPa): 89~92
4. Relative density ( g/mL, 20/4ºC): 1.026
5. Refractive index (n20ºC): 1.5276
6. Flash point (ºC): 84
7 . Solubility: Soluble in ethanol, ether and benzene, slightly soluble or insoluble in water.
Toxicological data
poisonous
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: 41.10
2. Molar volume (cm3/mol): 137.2
3. Isotonic specific volume (90.2K ): 330.1
4. Surface tension (dyne/cm): 33.4
5. Polarizability (10-24cm3): 16.29
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2
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: 2
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 129
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
1. Materials to avoid: Oxides. Products to be decomposed: carbon monoxide and carbon dioxide.
2. Reactions such as oxidation, reduction, addition, substitution, and condensation can occur. Avoid inhaling the vapor of this product and avoid contact with eyes and skin.
3. Exists in flue-cured tobacco leaves, burley tobacco leaves, spices.��Tobacco leaves and mainstream smoke.
Storage method
Seal the secret container and store it in a sealed main container in a cool, dry place.
Synthesis method
None yet
Purpose
Solvent, polymerization photoinitiator, photosensitizer.