2-Methylpropyl hexadecanoate Isobutyl Palmitate
Structural formula
| Business number | 0310 |
|---|---|
| Molecular formula | C20H40O2 |
| Molecular weight | 312.53 |
| label |
Isobutyl palmitate, Palmitic Acid Isobutyl Ester, Hexadecanoic acid isobutyl ester, aliphatic compounds |
Numbering system
CAS number:110-34-9
MDL number:MFCD00059289
EINECS number:203-758-2
RTECS number:None
BRN number:None
PubChem number:24847910
Physical property data
1. Character: Undetermined
2. Density (g/mL,25℃): 0.86
3. Relative vapor density (g/mL,Air =1): Undetermined
4. Melting point (ºC): 115-118
5. Boiling point (ºC,normal pressure):207
6. Boiling point (ºC,kPa): Undetermined
7. Refractive index: Undetermined
8. Flashpoint (ºC): 196
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,25ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
17. Explosion upper limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Undetermined
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 96.43
2. Molar volume (m3/mol）：362.5
3. isotonic specific volume (90.2K):849.9
4. Surface Tension (dyne/cm):30.2
5. Polarizability（10-24cm3):38.23
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 8.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 17
5. Number of tautomers: none
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 22
8. Surface charge: 0
9. Complexity: 236
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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
ial”>5. Polarizability（10-24cm3):38.23
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 8.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 17
5. Number of tautomers: none
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 22
8. Surface charge: 0
9. Complexity: 236
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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
