2′,4′-Dimethylacetophenone
Structural formula
| Business number | 0219 |
|---|---|
| Molecular formula | C10H12O |
| Molecular weight | 148.20 |
| label |
2,4-Dimethylacetophenone, (CH3)2C6H3COCH3 |
Numbering system
CAS number:89-74-7
MDL number:MFCD00003571
EINECS number:201-935-9
RTECS number:None
BRN number:956772
PubChem number:24864244
Physical property data
1. Properties: colorless liquid. Has a mimosa-like smell.
2. Density (g/mL, 25/4℃): 1.0121
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC) not determined
5. Boiling point (ºC, normal pressure): 228℃ (234~235℃).
6. Boiling point (ºC, 5.2kPa): Not determined
7. Refractive index: 1.5340
8. Flash point (ºC): Not determined
9. Specific 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-water (octanol/water) partition coefficient relationship Value: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined 19. Solubility: Can be compared with Ethanol, ether, and carbon disulfide are miscible and insoluble in water.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 45.93
2. Molar volume (cm3/mol): 153.5
3. Isotonic specific volume (90.2K ): 367.7
4. Surface tension (dyne/cm): 32.9
5. Polarizability (10-24cm3): 18.20
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.3
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: 21
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 151
10. Isotopic atomsQuantity: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine Number of stereocenters of chemical bonds: 0
14. Number of stereocenters of uncertain chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
This product should be sealed and stored in a cool place.
Synthesis method
Originated from the reaction of m-xylene and acetyl chloride.
Purpose
Used in organic synthesis. spices.
