N,N’-bis(o-tolyl)ethylenediamine

N,N'-di(o-tolyl)ethylenediamine structural formula

Structural formula

Business number 028C
Molecular formula C16H20N2
Molecular weight 240.34
label

N,N’-ethylenedi-o-toluidine,

N,N’-Di-o-tolylethylenediamine

Numbering system

CAS number:94-92-8

MDL number:MFCD00048073

EINECS number:202-375-8

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: powder

2. Density (g/mL, 20?): Undetermined

3. Relative vapor density (g/mL, air=1) : Undetermined

4. Melting point (ºC): 70-73

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point ( ºC, mmHg): Not determined

7. Refractive index: Not determined

8. Flash point (ºC): Not determined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg,ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): 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: Undetermined

Toxicological data

None

Ecological data

Slightly harmful to water.

Molecular structure data

1. Molar refractive index: 79.32

2. Molar volume (cm3/mol): 221.7

3. Isotonic specific volume (90.2K ): 575.4

4. Surface tension (dyne/cm): 45.3

5. Polarizability (10-24cm3): 31.44

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.3

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: none

6. Topological molecule polar surface area 24.1

7. Number of heavy atoms: 18

8. Surface charge: 0

9. Complexity: 205

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

Avoid contact with oxides.

StorageLaw

Stored sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep away from sources of fire and store away from oxidizing agents.

Synthesis method

None

Purpose

None

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N,N’-bisalicylin-1,2-propanediamine

Structural formula

Business number 028B
Molecular formula C17H18N2O2
Molecular weight 282.34
label

N,N’-Disalicylic aldehyde acetyl-1,2-propanediamine,

N,N’-bisalicylic acid-1,2-propanediamine,

N,N’-Bis(o-hydroxybenzylidene)-1,2-diaminopropane

Numbering system

CAS number:94-91-7

MDL number:None

EINECS number:None

RTECS number:None

BRN number:None

PubChem ID:None

Physical property data

1. Properties: yellow oily liquid.

2. Density (g/mL, 20?): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 48

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, mmHg): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa , ºC): 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) distribution coefficient: Undetermined

17. Explosion upper limit (%, V/V ): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Miscible with ethanol and benzene, soluble in toluene and diamine Toluene and gasoline are insoluble in water.

Toxicological data

1. Acute toxicity: Rat oral LD50: 4560mg/kg;

Ecological data

None

Molecular structure data

1. Molar refractive index: 83.42

2. Molar volume (cm3/mol): 252.3

3. Isotonic specific volume (90.2K ): 644.4

4. Surface tension (dyne/cm): 42.5

5. Polarizability (10-24cm3): 33.07

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 3.9

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: 9

6. Topological molecular polar surface area (TPSA): 58.2

p>

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 604

10. Number of isotope atoms : 0

11. The number of determined atomic stereocenters: 0

12. The number of uncertain atomic stereocenters: 1

13. DeterminedNumber of stereocenters of chemical bonds: 2

14. Number of stereocenters of uncertain chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

None

Purpose

Metal passivators have two applications in the oil refining industry. (1) Substances used to inhibit the catalytic effect of active metal ions (copper, iron, nickel, manganese, etc.) on oil oxidation. It is often used in combination with antioxidants in light fuels such as gasoline, jet fuel, and diesel to improve the stability of the oil and extend the storage period. Commonly used ones include N,N’-disalicylidenepropanediamine. (2) In the catalytic cracking of heavy oil, antimony compounds are commonly used as substances used to inhibit the influence of heavy metals (nickel, vanadium, copper, etc.) contained in the oil on the catalyst activity.

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2-ethoxy-5-(1-propenyl)phenol

2-ethoxy-5-(1-propenyl)phenol structural formula

Structural formula

Business number 028A
Molecular formula C11H14O2
Molecular weight 178.23
label

2-ethoxy-5-(1-propenyl)phenol,

1-ethoxy-2-hydroxy-4-isopropylenebenzene,

Rich and fragrant vanillin,

Propenylguaethol,

C2H5OC6H3(CH=CHCH3)OH

Numbering system

CAS number:94-86-0

MDL number:MFCD00009283

EINECS number:202-370-0

RTECS number:SL3850000

BRN number:None

PubChem number:24853639

Physical property data

1. Properties: scaly white crystals or powder. It has a strong aroma similar to vanillin.

2. Density (g/mL, 20?): Undetermined

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 86-88

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, mmHg): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

p>

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): 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) distribution coefficient: Undetermined

17. Explosion upper limit (%, V /V): Undetermined

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Easily soluble in most vegetable oils, edible solvents and essential oils , extremely difficult to dissolve in water.

Toxicological data

1. Acute toxicity: Rat oral LD50: 2400mg/kg;

Ecological data

None

Molecular structure data

1. Molar refractive index: 55.33

2. Molar volume (cm3/mol): 169.3

3. Isotonic specific volume (90.2K ): 421.6

4. Surface tension (dyne/cm): 38.4

5. Polarizability (10-24cm3): 21.93

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 2.9

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: 3

6. Topological molecular polar surface area (TPSA): 29.5

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 166

10 , Number of isotope atoms: 0

11. Number of determined atomic stereocenters: 0

12. Number of uncertain atomic stereocenters: 0

13. The number of stereocenters of determined chemical bonds: 1

14. The number of stereocenters of uncertain chemical bonds: 0

15. The number of covalent bond units: 1

Properties and stability

None

Storage method

None

Synthesis method

It is produced by alkaline hydrolysis of 1-ethoxy-2-methoxy-4-propenylbenzene in ethanol or methanol solution at 150~190? and under pressure; or in ethylene glycol solution at normal pressure Hydrolyzed by heating.

Purpose

GB 2760-1996 stipulates that edible spices are temporarily allowed to be used. Mainly used as vanillin substitute and preparation of chocolate flavor.

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