2-tert-butylphenol
structural formula
| business number | 01z6 |
|---|---|
| molecular formula | c10h14o |
| molecular weight | 150.22 |
| label |
o-tert-butylphenol, 2-hydroxy-1-tert-butylbenzene, 2-(1,1-dimethylethyl)phenol, 2-(1,1-dimethylethyl)phenol, 2-tert-butyl-1-hydroxybenzene, o-tert-butylphenol |
numbering system
cas number:88-18-6
mdl number:mfcd00002223
einecs number:201-807-2
rtecs number:sj8921000
brn number:1907120
pubchem number:24892164
physical property data
1. properties: crystalline.
2. density (g/ml, 25/4℃): 0.9783
3. relative vapor density (g/ml, air=1): undetermined
4. melting point (ºc): -7
5. boiling point (ºc, normal pressure): 221-224
6. boiling point (ºc, 5.2kpa): not available confirm
7. refractive index (n20d): 1.516
8. flash point (ºc): 110
9. specific rotation (º): undetermined
10. autoignition point or ignition temperature (ºc): undetermined
11. vapor pressure (kpa, 25ºc): undetermined
12. saturated vapor pressure (kpa, 60ºc): undetermined
13. heat of combustion (kj/mol) : undetermined
14. critical temperature (ºc): undetermined
15. critical pressure (kpa): undetermined
16. oil and water (octanol /water) logarithmic value of the distribution coefficient: undetermined
17. explosion upper limit (%, v/v): undetermined
18. explosion lower limit (%, v/v) : undetermined
19. solubility: soluble in ethanol and ether.
toxicological data
none yet
ecological data
none yet
molecular structure data
1. molar refractive index: 35.46
2. molar volume (cm3/mol): 125.2
3. isotonic specific volume (90.2k ): 290.3
4. surface tension (dyne/cm): 28.8
5. polarizability (10-24cm3): 14.06
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: 11
8. surface charge: 0
9. complexity: 123
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. the number of uncertain stereocenters of atoms: 0
13. the number of determined stereocenters of chemical bonds: 0
14. the number of uncertain stereocenters of chemical bonds: 0
15. number of covalent bond units: 1
properties and stability
1. exist in flue-cured tobacco leaves and smoke.
storage method
1. store in sealed and protected form.
synthesis method
1. tobacco: fc, 18.
purpose
organic synthesis. this product is mainly used as raw materials for antioxidants, plant protection agents, synthetic resins, pharmaceuticals, pesticide intermediates and flavors and fragrances.
