Methyl isobutyl ketone oxime 4-Methyl-2-pentanone Oxime

Structural formula

• 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: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