1-Dodecene 1-Dodecene

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:112-41-4

MDL number:MFCD00008961

EINECS number:203-968-4

RTECS number:JR5120000

BRN number:1699848

PubChem number:24867662

Physical property data

1. Properties: colorless liquid

2. Density (g/mL, 25℃): 0.760

3. Relative vapor density (g/mL, air=1 ): Undetermined

4. Melting point (ºC): -33.6

5. Boiling point (ºC, normal pressure): 213

6. Boiling point (ºC , KPa): Undetermined

7. Refractive index _(n²⁰_D): 1.43

8. Flash point (ºC): 73

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, 70ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16 . The logarithmic value of the oil-water (octanol/water) partition coefficient: Undetermined

17. The upper limit of explosion (%, V/V): Undetermined

18. The lower limit of explosion (%) ,V/V): Undetermined

19. Solubility: soluble in alcohol; ether; acetone; petroleum ether; insoluble in water.

Toxicological data

Acute toxicity: mouse transdermal LCL0: 10gm/kg

Ecological data

No harm to water bodies.

Molecular structure data

1. Molar refractive index: 57.36

2. Molar volume (cm³/mol): 221.7

3. Isotonic specific volume (90.2K ): 498.5

4. Surface tension (dyne/cm): 25.5

5. Dielectric constant (F/m): 2.11

6. Extreme Chemical rate (10^-24cm³): 22.74

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: 0

4. Number of rotatable chemical bonds: 9

5. Number of tautomers: none

6. Topological molecule polar surface area 0

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 84

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. NoDetermine the number of atomic stereocenters: 0

13. Determine the number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Avoid contact with strong oxides.

2. Exist in smoke.

Storage method

Stored sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep away from sources of fire. Store away from oxidizing agents.

Synthesis method

Derived from propylene tetramerization.

Purpose

Used in organic synthesis to produce surfactants; detergents; lubricant additives and plasticizers, etc. Japan is mainly used to produce dodecene phenol.