Structural formula
| Business number | 069W |
|---|---|
| Molecular formula | C11H12O3 |
| Molecular weight | 192.21 |
| label |
5-methoxysassafras olein, nutmeg essence, 5-allyl-2,3-(methylenedioxy)anisole, Synergene, 4-Methoxy-6-(2-propenyl)-2,3-benzodioxole, 5-Allyl-1-methoxy-2,3-(methylenedioxy)benzene, pesticides |
Numbering system
CAS number:607-91-0
MDL number:MFCD00133549
EINECS number:210-146-9
RTECS number:CY2625000
BRN number:166218
PubChem number:24846264
Physical property data
1. Melting point (ºC): -30
2. Boiling point (ºC): 149~149.6 (2kpa)
3. Relative density (20℃, 4℃) : 1.135
4. Relative density (25℃, 4℃): 0.9943
5. Refractive index at room temperature (n20): 1.5412
6. Refractive index at room temperature (n25): 1.5395
Toxicological data
None yet
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 53.00
2. Molar volume (cm3/mol): 169.0
3. Isotonic specific volume (90.2K): 424.6
4. Surface tension (dyne/cm): 69.8
5. Polarizability (10-24cm3): 21.01
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: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 27.7
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 205
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
Properties and stability:
1. The product may not decompose under normal temperature and pressure.
2. Exist in smoke.
3. It has an exciting effect on the human brain.
Storage method
Storage:
Seal the container and store it in a sealed main container in a cool, dry place.
Synthesis method
None yet
Purpose
None yet
