structural formula

business number	025f
molecular formula	c14h12o
molecular weight	196.24
label	4-phenylacetophenone, 4-diacetophenone, benzophenone, diphenyl monoethyl ketone, 4-acetylbiphenyl, 1-((biphenyl)-4-yl)ethanone, 1-acetyl-4-phenylbenzene, 2-mesitylenecarboxylic acid

• 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:92-91-1

mdl number:mfcd00008749

einecs number:202-202-6

rtecs number:am9662502

brn number:1101615

pubchem number:24845113

physical property data

1. characteristics: white flaky crystals.

2. density ( g/ml,25/4℃): undetermined

3. relative vapor density (g/ml,air=1): undetermined

4. melting point ( ºc): 121

5. boiling point ( ºc,normal pressure):325-327

6. boiling point ( ºc,5.2kpa): undetermined

7. refractive index: undetermined

8. flash point ( ºc): undetermined

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): not ok

11. vapor pressure (kpa,25ºc): undetermined

12. saturation vapor pressure (kpa,60ºc): undetermined

13. burn heat (kj/mol ): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/water) partition coefficient pair value: undetermined

17. explosion limit (%,v/v): not ok

18.lower explosion limit (%,v/v): undetermined

19. solubility: easily soluble in ethanol and acetone are insoluble in water.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 60.87

2. molar volume (m³/mol）：186.2

3. isotonic specific volume (90.2k):465.8

4. surface tension (dyne/cm):39.1

5 , polarizability(10^-24cm³):24.13

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: 1

4. number of rotatable chemical bonds: 2

5. number of tautomers: 2

6. topological molecule polar surface area 17.1

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 207

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

storage method

save in sealed format.

synthesis method

none

purpose

inhibitor of carotene formation. organic synthesis.

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