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
