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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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