2-Ethylphenol
Structural formula
| Business number | 021R |
|---|---|
| Molecular formula | C8H10O |
| Molecular weight | 122.16 |
| label |
o-Ethylphenol, 1-ethyl-2-hydroxybenzene, Phlorol, 1-Hydroxy-2-ethylbenzene, o-Ethylphenol |
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.
