4-4-Hydroxy-3-methoxy-2-butanone 4-(4-Hydroxy-3-methoxyphenyl)butan-2-one
Structural formula
| Business number | 03F2 |
|---|---|
| Molecular formula | C11H14O3 |
| Molecular weight | 194.23 |
| label |
4-(4-Hydroxy-3-methoxyphenyl)-2-butanone, 4-4-hydroxy-3-methoxy, 4-4-hydroxy-3-methoxybutan-2-one, natural gingerone, zingerone, zingerone, (0)-paradol, [0]-Paradol, 3-Methoxy-4-hydroxybenzylacetone, 3-methoxy-4-hydroxy-benzylacetone, 4-(3-methoxy-4-hydroxyphenyl)-2-butanone, 4-(4-hydroxy-3, 4-(4-hydroxy-3-methoxyphenyl)-2-butanon, Gingerone, aromatic compounds |
Numbering system
CAS number:122-48-5
MDL number:MFCD00048232
EINECS number:204-548-3
RTECS number:EL8900000
BRN number:None
PubChem number:24901474
Physical property data
1. Density (g/mL ,25/4℃）： 1.14
2. Refractive index (nD20）：1.541
3. Flash point (°F):>230
4. Melting point (℃):40-41
5. Boiling point (ºC,0.67kpaor5 mmHg): 141
Toxicological data
1, acute toxicity: rat oral LD50: 2580mg/kg
Rabbit skinLD50：>5gm/kg
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 53.65
2. Molar volume（m3/ mol）：174.8
3. isotonic ratio（90.2K）：440.1
4. Surface Tension（dyne/cm）�oft-com:office:office” />
Rabbit skinLD50：>5gm/kg
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 53.65
2. Molar volume（m3/ mol）：174.8
3. isotonic ratio（90.2K）：440.1
4. Surface Tension（dyne/cm）：40.1
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability: 21.27
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: 9
6. Topological molecule polar surface area 46.5
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 191
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
��40.1
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability: 21.27
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: 9
6. Topological molecule polar surface area 46.5
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 191
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
