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