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.