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