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.