BDMAEE

structural formula

business number	03gh
molecular formula	c6h8n2
molecular weight	108.14
label	2,5-dimethyl-p-diazepine, 2,5-dimethyl-1,4-diazine, 2,5-dimethyl-pyrazin, food additives, flavor enhancer

• 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℃

4. solubility: soluble in water, ethanol , diethyl ether. can evaporate with water vapor

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.