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
• 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: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