5-Hexen-2-one 5-Hexen-2-one
Structural formula
| Business number | 02Z1 |
|---|---|
| Molecular formula | C6H10O |
| Molecular weight | 98.14 |
| label |
Allyl acetone, 1-Hexen-5-one, Allylacetone |
Numbering system
CAS number:109-49-9
MDL number:MFCD00008793
EINECS number:203-675-1
RTECS number:None
BRN number:1699137
PubChem number:24895450
Physical property data
1. Properties: colorless liquid.
2. Relative density (d274) : 0.833
3. Relative vapor density (g/mL, air =1): 3.39
4. Relative density (20℃, 4℃): 0.8462
5. Boiling point (ºC, normal pressure): 129.5
6. Boiling point (ºC, mmHg): Not determined
7. Refractive index (n27D ): 1.4178
8. Flash point (ºC): 23
9. Refractive index at room temperature (n25): 1.4195
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20ºC): Not determined
12. Saturated vapor pressure (kPa, ℃): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined
17. Explosion upper limit (%, V /V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Insoluble in water, easily soluble in alcohol, ether, etc. .
Toxicological data
None yet
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 29.60
2. Molar volume (cm3/mol): 119.7
3. Isotonic specific volume (90.2K): 264.9
4. Surface tension (dyne/cm): 23.9
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 11.73
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 3
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: 74.2
10. Number of isotope atoms: 0
11. Determine the atomic stereocenterQuantity: 0
12. Uncertain number of atomic stereocenters: 0
13. Determined number of chemical bond stereocenters: 0
14. No Determine the number of stereocenters of chemical bonds: 0
15. The number of covalent bond units: 1
Properties and stability
1. Avoid contact with strong oxidants, strong reducing agents, and strong acids.
2. It is flammable, avoid inhaling the vapor and smoke of this product, and avoid contact with eyes and skin.
3. Exist in smoke.
Storage method
1. Store in a cool, ventilated warehouse. Keep away from fire and heat sources. The storage temperature should not exceed 30℃. They should be stored separately from oxidants, reducing agents and acids, and avoid mixed storage. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None yet
Purpose
1. Used in the synthesis of spices, pesticides and pharmaceuticals.
2. Organic synthesis.
