2-amino-2-methyl-1-propanol 2-amino-2-methyl-1-propanol

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:124-68-5

mdl number:mfcd00008051

einecs number:204-709-8

rtecs number:ua5950000

brn number:505979

pubchem number:24862008

physical property data

1. properties: colorless and transparent liquid, or white petroleum jelly-like substance with a special smell.

2. density (g/ml, 25/4℃): 0.934

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): 30-31

5. boiling point (ºc, normal pressure): 165

6. boiling point (ºc, 1.33kpa): 67.4

7. refractive index (n²⁰): 1.448

8. flash point (ºc): 67

9. specific rotation degree (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa, 25ºc): undetermined

12. saturated vapor pressure (kpa, 60ºc): 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. explosion lower limit (%, v/v): undetermined

19. solubility: can be compared with miscible in water and soluble in alcohol.

toxicological data

acute toxicity data

rat oral ld50: 2900 mg/kg

mouse oral ld50: 2150 mg/kg

rabbit oral ldlo: 1mg/kg

other multiple dose data

rat oral tdlo: 44800 mg/kg/8w-c

rat inhalation tclo: 230 ug/m3/4h/13w-i

dog oral tdlo: 11340 mg/kg/28d-c

primate-monkey inhaled tclo: 6 mg/m3/ 89d-i

rodent-hamsterinhalation tclo: 100 mg/m3/4h/13w-i

ecological data

none

molecular structure data

1. molar refractive index: 25.61

2. molar volume (cm³/mol): 95.7

3. isotonic specific volume (90.2k ): 232.1

4. surface tension (dyne/cm): 34.4

5. polarizability (10^-24cm³): 10.15

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -0.8

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 2

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4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 46.2

7. number of heavy atoms: 6

8. surface charge: 0

9. complexity: 42.8

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. irritating to eyes and skin.

storage method

stored in a cool, dry and dark place.

synthesis method

1. react 2-nitropropane with formaldehyde aqueous solution, and then concentrate it into an aqueous solution containing 70% 2-methyl-2-nitro-1-propanol. dilute to 30% with methanol. add to the autoclave, add 5% skeleton nickel by weight of nitro, and hydrogenate and reduce at 30°c and 267 atmospheric pressure for 6-8 hours. after distilling off methanol and most of the water under normal pressure, distill under reduced pressure to collect the 103°c (8.53-8.67kpa) fraction, which is 2-amino-2-methyl-1-propanol. based on 2-nitropropane, the yield is 70.5%.

purpose

1. used to synthesize surfactants, vulcanization accelerators, and acid gas absorbers. derivatives formed with carboxylic acid compounds are used in gas chromatography analysis.

2.carbonyl protecting reagent. synthesize 2,2-dimethylaziridine (a very useful intermediate) with high yield. pine vinegar is the only highly efficient precipitant for l-piramic acid.

3. it is an organic base used as a neutralizing agent and is generally used as a neutralizing agent for resins in cosmetics.