4-Methoxyphenylacetone 4-Methoxyphenylacetone
Structural formula
| Business number | 03FM |
|---|---|
| Molecular formula | C10H12O2 |
| Molecular weight | 164.21 |
| label |
p-Methoxyphenylacetone, p-Methoxyphenylacetone, 4-Methoxyphenylacetone, 4-Methoxybenzyl methyl ketone, 4-Methoxyphenylacetone, CH3OC6H4CH2COCH3, aromatic compounds |
Numbering system
CAS number:122-84-9
MDL number:MFCD00008773
EINECS number:204-578-7
RTECS number:UC2990000
BRN number:2044332
PubChem number:24901239
Physical property data
1. Density (g/mL, 25/4℃): 1.067
2. Refractive index (nD20): 1.5259
3 . Flash point (°F): 215
4. Boiling point (ºC, 25 mmHg): 145
5. Melting point (ºC): <-15
6. Boiling point (ºC): 268
7. Relative density (20℃, 4℃): 1.06718
Toxicological data
1. Skin/eye irritation: Rabbit skin standard Drez eye dye test: 500mg/24H is slightly irritating to the skin.
2. Acute toxicity: Rat oral LD50: 3330mg/kg
Mouse peritoneal cavity LD50: 560mg/kg
Rabbit skin LD50:> 5gm/kg
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 4047.14
2. Molar volume (cm3/mol): 159.8
3. Isotonic specific volume (90.2K ): 385.3
4. Surface tension (dyne/cm): 33.7
5. Polarizability (10-24cm3): 18.68
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 3
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 12
8. Surface charge: 0
9. Complexity: 146
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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet