9-heptadecanone structural formula

9-heptadecanone structural formula

Structural formula

Business number 05JZ
Molecular formula C17H34O
Molecular weight 254.45

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


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




BDMAEE:Bis (2-Dimethylaminoethyl) Ether

CAS NO:3033-62-3

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