myrtenal
Structural formula
| Business number | 05T6 |
|---|---|
| Molecular formula | C10H14O |
| Molecular weight | 150.21 |
| label |
6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde, 2-Formyl-6,6-dimethylbicyclo(3.1.1)hept-2-ene, 6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-carboxaldehyde, essential oils |
Numbering system
CAS number:564-94-3
MDL number:MFCD00074768
EINECS number:209-274-8
RTECS number:DT5180000
BRN number:2961587
PubChem number:24901520
Physical property data
1. Physical property data
1. Boiling point:220-221°C.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index:45.86
2. Molar volume (m3/mol):141.4
3. Isotonic specific volume (90.2K): 356.4
4. Surface tension (dyne/cm): 40.2
5. Polarizability（10-24 cm3):18.18
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.1
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 17.1
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 225
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 2
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
Surface charge: 0
9. Complexity: 225
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 2
13. Determined number of chemical bond stereocenters: 0
14. Uncertain number of 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
