9-heptadecanone
Structural formula
| Business number | 05JZ |
|---|---|
| Molecular formula | C17H34O |
| Molecular weight | 254.45 |
| label |
dioctyl ketone, Octyl ketone |
Numbering system
CAS number:540-08-9
MDL number:MFCD00009573
EINECS number:208-734-5
RTECS number:MI3925000
BRN number:1707117
PubChem ID:None
Physical property data
1. Character: Undetermined
2. Relative density (25℃, 4℃): 0.79180
3. Relative density (20 ℃, 4℃): 0.80560
4. Melting point (ºC): 53
5. Boiling point (ºC, normal pressure): 251.5
p>
6. Refractive index at room temperature (n25): 1.420580
7. Refractive index at room temperature (n20): 1.428460
8. Flash point (ºC): 250-253
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturation Vapor pressure (kPa, 55.1ºC): 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) partition coefficient: Undetermined
17. Explosion upper limit ( %, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
Acute toxicity: Mouse intraperitoneal LDLO: 10gm/kg, behavior – changes in sleep time (including changes in righting reflex);
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index: 80.83
2. Molar volume (cm3/mol): 306.2
3. Isotonic specific volume (90.2K ): 713.5
4. Surface tension (dyne/cm): 29.4
5. Polarizability (10-24cm3): 32.04
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 7
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 14
5. Number of tautomers: 2
6. Topological molecular polar surface area 17.1
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 156
10. Number of isotope atoms: 0
11. Determine the atomsNumber of stereocenters: 0
12. Number of uncertain atom stereocenters: 0
13. Determined number of stereocenters of chemical bonds: 0
14 .The number of uncertain chemical bond stereocenters: 0
15. The number of covalent bond units: 1
Properties and stability
Use and store according to specifications, no decomposition will occur, and avoid contact with oxides
Storage method
Stored in a cool, dry and well-ventilated warehouse. Keep away from fire and heat sources. Protect from direct sunlight. The packaging is sealed. They should be stored separately from acids and food chemicals, and avoid mixed storage. Suitable materials should be available in the storage area to contain spills.
Synthesis method
None
Purpose
None