pinane
Structural formula
| Business number | 0512 |
|---|---|
| Molecular formula | C10H18 |
| Molecular weight | 138.25 |
| label |
(1α,2β,5α)-2,6,6-trimethylbicyclo[3.1.1]heptane |
Numbering system
CAS number:473-55-2
MDL number:MFCD00078047
EINECS number:207-467-1
RTECS number:None
BRN number:5237941
PubChem ID:None
Physical property data
1. Character:Undetermined
2. Density (g/ m3,25/4℃): 0.857
3. Relative vapor density (g/cm3 ,AIR=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,Normal pressure): Undetermined
6. Boiling point (ºC,5.2kPa): Undetermined
7. Refractive Index: Undetermined
8. Flash Point (ºC):48
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa,25ºC): Undetermined
Molar refractive index:44.36
2、 Molar Volume（m3/mol)：163.6
3、 Isotonic specific volume (90.2K):371.3
4、 Surface tension（dyne/cm)：26.5
5、 Polarizability(10-24cm3）：17.58
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.9
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: None
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 146
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 3
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
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.
Synthesis method
None yet
Purpose
Used as a raw material for the synthesis of high-grade spices and vitamins A, E, and K
�：26.5
5、 Polarizability(10-24cm3）：17.58
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.9
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: None
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 146
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 3
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
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.
Synthesis method
None yet
Purpose
Used as a raw material for the synthesis of high-grade spices and vitamins A, E, and K