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.