Methyl isobutyl ketone oxime 4-Methyl-2-pentanone Oxime
Structural formula
| Business number | 02RP |
|---|---|
| Molecular formula | C6H13NO |
| Molecular weight | 115.17 |
| label |
Isobutyl Methyl Ketoxime, Isopropylacetone Oxime |
Numbering system
CAS number:105-44-2
MDL number:MFCD00013933
EINECS number:203-298-2
RTECS number:SA9450000
BRN number:None
PubChem ID:None
Physical property data
None
Toxicological data
Acute toxicity: Mouse oral LD50: >2mg/kg; Mouse peritoneal cavity LD50: 200mg/kg;
Ecological data
None
Molecular structure data
1. Molar refractive index: 33.54
2. Molar volume (cm3/mol): 128.1
3. Isotonic specific volume (90.2K ): 288.8
4. Surface tension (dyne/cm): 25.8
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 13.29
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 1.5
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: 2
6. Topological molecular polar surface area (TPSA): 32.6
7. Number of heavy atoms: 8
8. Surface charge: 0
9. Complexity: 86.5
10. Number of isotope atoms : 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the chemical bond configuration Number of centers: 1
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
