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.