N,N-Dimethyldodecylamine N,N-Dimethyldodecylamine

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:112-18-5

MDL number:MFCD00008970

EINECS number:203-943-8

RTECS number:JR6600000

BRN number:1700191

PubChem ID:None

Physical property data

1. Properties: colorless liquid.

2. Density (g/mL, 20℃): 0.7846

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

4. Melting point (ºC): -20

5. Boiling point (ºC, normal pressure): 247, 80~80ºC (13.3pa)

6. Boiling point (ºC, 0.4 kPa): 110-112

7. Refractive index _(n²⁰_D): 1.4375

8. Flash point (ºC): >110

9. Specific rotation (º): Undetermined

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

11. Vapor pressure (mmHg, 25ºC): Undetermined

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

13. Combustion Heat (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 explosion limit (%, V/V): Undetermined

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

19. Solubility: Easily soluble in alcohols, insoluble in water.

Toxicological data

1. Irritation: Rabbit percutaneous standard Drez eye dye test: 2mg/24H severe irritation.

Rabbit eye standard Drez eye dye test: 50ug/24H severe irritation.

Ecological data

It is slightly harmful to water bodies and highly toxic to fish.

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 70.63

2. Molar volume (cm³/mol): 266.8

3. Isotonic specific volume (90.2K): 614.8

4. Surface tension (dyne/cm): 28.1

5. Polarizability (10^-24cm³): 28.00

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: 11

5. Number of tautomers: none

6. Topological molecule polar surface area 3.2

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 110

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

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. Avoid contact with oxides.

2. Exist in smoke.

Storage method

Store 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

Liquid-phase catalytic amination of dodecanol and dimethylamine at normal pressure and 180-120°C removes a molecule of water to obtain crude tertiary amine, which can be distilled under reduced pressure to obtain high-purity finished dodecyl tertiary amine. .

Purpose

Used as an important intermediate in the synthesis of vitamin E. Used to prepare fiber detergents, fabric softeners, asphalt emulsifiers, dye oil additives, metal rust inhibitors, antistatic agents, etc.