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
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. flashpoint (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
<span lang=en-us style="font-size: 9pt; font-family: arial; mso-fareast-font-family: arial; mso-font-kerning: 0ptlower 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.
xt-indent: -54.75pt; text-align: left; mso-list: l0 level2 lfo1; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto; tab-stops: list 36.0pt” align=left>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.
