4-methoxyphenylacetone 4-methoxyphenylacetone

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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