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
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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