structural formula
| business number | 03eb |
|---|---|
| molecular formula | c10h12o2 |
| molecular weight | 164.20 |
| label |
4-methoxypropiophenone, α-p-methoxypropiophenone, p-methoxyphenylethyl ketone, p-methoxypropiophenone, 4′-methoxypropiophenone, p-methoxypropiophenone, 1-(4-methoxyphenyl)-1-propanon, 1-(4-methoxy-phenyl)-propan-1-one, ethyl 4-methoxyphenyl ketone, propiophenone, 4′-methoxy-, p-methoxypropiophenone, methoxypropiophenone, 1-(4-methoxyphenyl)-1-propanone, 4-propionylanisole, fragrance |
numbering system
cas number:121-97-1
mdl number:mfcd00009310
einecs number:204-512-7
rtecs number:none
brn number:907733
pubchem number:24896733
physical property data
1. character: white crystal.
2. density (g/ml ,25/4℃):1.071
3. melting point (℃):27-29℃
4. boiling point (ºc):273- 275℃
toxicological data
none
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index:47.29
2. molar volume（m3/mol)：160.3
3. isotonic specific volume（90.2k）：391.6
4. surface tension（dyne/cm）：35.6
5. dielectric constant:
6. dipole moment（10（m3/mol)：160.3
3. isotonic specific volume（90.2k）：391.6
4. surface tension（dyne/cm）：35.6
5. dielectric constant:
6. dipole moment（10-24cm3） ：
7. polarizability:18.74
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: 2
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
storage method
none
synthesis method
none
purpose
none
e=”false” negative=”true” numbertype=”1″ tcsc=”0″>-24cm3）：
7. polarizability:18.74
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: 2
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
storage method
none
synthesis method
none
purpose
none
