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
