2,5-Dimethylpyrazine 2,5-Dimethylpyrazine

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:123-32-0

MDL number:MFCD00006147

EINECS number:204-618-3

RTECS number:UQ2800000

BRN number:107052

PubChem number:24901599

Physical property data

1. Character: colorless to slightly yellow liquid

2. Melting point:15℃

3. Boiling point:155℃

Toxicological data

1, acute toxicity: rat oral LD50: 1020mg/kg

Mouse transperitoneal membrane LD50: 1350mg/kg

2, mutagenicity: yeast mutation test system: 33800mg/L

Hamster ovary cell analysis and testing system: 2500mg/L

Ecological data

None yet

Molecular structure data

5. Molecular property data:

1. Molar refractive index: 32.08

2. Molar volume (m³/mol）：108.4

3. isotonic specific volume (90.2K):270.8

4. Surface Tension (dyne/cm):38.9

5. Polarizability（10^-24cm³):12.71

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: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 25.8

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 62.9

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. Properties: Colorless to slightly yellow liquid. Can evaporate with water vapor.

Storage method

None yet

Synthesis method

2. Preparation method: in the presence of ammonium salt, from acrolein and ammonia in glycerin Obtained by heating reaction.

Purpose

3. Uses: This product has a pungent aroma of fried flowers and chocolate and cream. It is our countryGB- 2760-863. isotonic specific volume (90.2K):270.8

4. Surface Tension (dyne/cm):38.9

5. Polarizability（10^-24cm³):12.71

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: 2

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: none

6. Topological molecule polar surface area 25.8

7. Number of heavy atoms: 8

8. Surface charge: 0

9. Complexity: 62.9

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. Properties: Colorless to slightly yellow liquid. Can evaporate with water vapor.

Storage method

None yet

Synthesis method

2. Preparation method: in the presence of ammonium salt, from acrolein and ammonia in glycerin Obtained by heating reaction.

Purpose

3. Uses: This product has a pungent aroma of fried flowers and chocolate and cream. It is our countryGB- 2760-86Stipulated as permitted of spices. Mainly used to prepare flavors such as cocoa, coffee, meat, nuts and potatoes. It can also be used in dye and pharmaceutical industries.

nt-family: ‘Times New Roman’; mso-hansi-font-family: ‘Times New Roman'”>Specified as permitted spices. Mainly used in the preparation of flavors such as cocoa, coffee, meat, nuts and potatoes. It can also be used in dye and pharmaceutical industries.