3-methyl-2-pentanone

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:565-61-7

MDL number:MFCD00009336

EINECS number:209-282-1

RTECS number:None

BRN number:635791

PubChem number:24897107

Physical property data

1. Physical property data

1. Properties: colorless flammable liquid.

2. Relative density (d²⁵₄₎ : 0.815

3. Refractive index _(n sub>²⁰_D): 1.4002

4. Flash point (℃): 12

5. Boiling point (ºC) : 117.4(101kpa)

6. Melting point (ºC): -106

7. Relative density (20℃, 4℃): 0.8130

8. Refractive index at room temperature (n²⁰): 1.4001

9. Refractive index at room temperature (n²⁵): 1.3978

10. Gas phase standard combustion heat (enthalpy) (kJ·mol^-1): -3791.92

11. Gas phase standard claimed heat (enthalpy) (kJ·mol^-1 ):-284.09

Toxicological data

None yet

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 29.83

2. Molar volume (cm³/mol): 125.0

3. Isotonic specific volume (90.2K): 273.3

4. Surface tension (dyne/cm): 22.8

5. Polarizability (10^-24cm³): 11.82

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 1.3

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: 3

6. Topological molecule polar surface area 17.1

7. Number of heavy atoms: 7

8. Surface charge: 0

9. Complexity: 66.6

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

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

1. Exist in smoke��中.

Storage method

2. Storage

Keep sealed in a cool place.

Synthesis method

None yet

Purpose

3. Use

Used in organic synthesis.