3-methyl-2-pentanone
structural formula
| business number | 05t9 |
|---|---|
| molecular formula | c6h12o |
| molecular weight | 100.16 |
| label |
methyl-1-methylpropyl ketone, methyl-1-methylpropyl ketone, sec-butylmethyl ketone, pesticide research and development |
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>20d): 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.
