3,5-dimethoxy-4-hydroxybenzaldehyde
Structural formula
| Business number | 03PT |
|---|---|
| Molecular formula | C9H10O4 |
| Molecular weight | 182 |
| label |
syringaldehyde, Syringaldehyde, 4-Hydroxy-3,5-dimethoxybenzaldehyde, Syringic aldehyde, aromatic compounds |
Numbering system
CAS number:134-96-3
MDL number:MFCD00006943
EINECS number:205-167-5
RTECS number:CU5760000
BRN number:784514
PubChem number:24888572
Physical property data
1. Boiling point (ºC): 192~193(1866pa)
2. Melting point (ºC): 110~113
3. Relative density (d20 4) ：1.234
Toxicological data
Acute toxicity data:
Mouse abdominal LD50: 1mg/kg
Ecological data
None
Molecular structure data
Molecular property data:
1. Molar refractive index: 48.24
2. Molar volume (cm3/mol): 147.5
3. Isotonic specific volume (90.2K): 380.6
4. Surface tension (3.0 dyne/cm): 44.3
5. Polarizability (0.5 10-24cm3): 19.12
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: 4
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 4
6. Topological molecule polar surface area 55.8
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 157
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
1. Exist in tobacco leaves and mainstream smoke.
Storage method
None
Synthesis method
None
Purpose
None
