2-ethylphenol

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:90-00-6

mdl number:mfcd00002249

einecs number:201-958-4

rtecs number:sl4025000

brn number:1099397

pubchem number:24862613

physical property data

1. properties: colorless liquid. has a phenol smell.

2. density (g/ml, 25/4℃): 1.01459

3. relative density (20℃, 4℃): 1.035

4 . melting point (ºc): 18

5. boiling point (ºc, normal pressure): 204.5

6. refractive index at room temperature (n²⁰): 1.5370

7. refractive index at room temperature (n²⁵): 1.5352

8. gas phase standard combustion heat (enthalpy) (kj·mol^-1 ): -4432.0

9. the gas phase standard claims heat (enthalpy) (kj·mol^-1): -145.2

10. liquid phase standard combustion heat (enthalpy) (kj·mol^-1): -4368.4

11. liquid phase standard claimed heat (enthalpy) (kj·mol^{– 1}): -208.8

12. saturated vapor pressure (kpa, 60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

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14. critical temperature (ºc): 429.85

15. critical pressure (kpa): undetermined

16. oil-water (octanol/water) distribution coefficient log value: undetermined

17. explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v): undetermined

19. solubility: easily soluble in ethanol, ether, benzene, and glacial acetic acid, almost insoluble in water. when cooled to -30°c, metastable crystals can precipitate.

20. flash point (ºc): 78

toxicological data

ecological data

none

molecular structure data

1. molar refractive index 37.68

2. molar volume (cm³/mol): 120.6

3. isotonic specific volume (90.2k) :298.8

4. surface tension (dyne/cm): 37.6

5�� polarizability (10-24cm3): 14.93

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 1

5. number of tautomers: 3

6. topological molecule polar surface area 20.2

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 80.6

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. exists in oriental tobacco leaves and smoke.

storage method

this product should be sealed and stored in a cool, dry place.

synthesis method

(1) extracted from coal tar. (2) it is produced by using phenol and ethylene as raw materials and aluminum phenolate as catalyst at 280~320℃ and 4.0~5.5 mpa. (3) made from phenol and ethanol as raw materials, heated to above 350°c and dehydrated under the action of alumina and thorium oxide. (4) it is prepared using phenol and 2-chloroethanol as raw materials and under the action of metallic sodium.
remarks: the color becomes darker in the air. when the liquid is cooled to -30°c, a crystal forms with a melting point of -28°c.

(5): tobacco: or, 26.

purpose

organic synthesis.

phenolic resin, rubber anti-aging agent, plastic anti-aging agent, surfactant, non-ionic emulsifier, synthetic spices, raw materials for pesticides; edible spices; organic synthesis intermediates and chemical reagents.