Isopropyl isobutyrate
Structural formula
| Business number | 06J2 |
|---|---|
| Molecular formula | C7H14O2 |
| Molecular weight | 130.19 |
| label |
1-Methylethyl-2-methylpropionate |
Numbering system
CAS number:617-50-5
MDL number:None
EINECS number:210-517-5
RTECS number:NQ5320000
BRN number:None
PubChem ID:None
Physical property data
1. Physical property data
1. Boiling point (ºC, normal pressure): 130 °C
2. Density: 0.85g/mL at 25 °C (lit.
3. Refractive index: n20/D 1.388(lit.)
4. Flash point (ºC): 20 ºC
5. Relative density (20℃, 4℃): 0.8588
6. Refractive index at room temperature (n20): 1.3936
Toxicological data
None yet
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 36.17
2. Molar volume (cm3/mol): 148.3
3. Isotonic specific volume (90.2K): 330.1
4. Surface tension (dyne/cm): 24.5
5. Polarizability (10-24cm3): 14.33
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 95.1
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
Properties and stability:
The product may not decompose under normal temperature and pressure.
Storage method
Storage:
Seal the container and store it in a sealed main container in a cool, dry place.
Synthesis method
None yet
Purpose
None yet
