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
