4-isopropylphenol 4-isopropylphenol
structural formula
| business number | 02gp |
|---|---|
| molecular formula | c9h12o |
| molecular weight | 136.19 |
| label |
4-(1-methylethyl)-phenol, p-isopropylphenol, eucalyptol, 1-hydroxy-4-isopropylbenzene, 4-hydroxycumene, 1-hydroxy-4-isopropylbenzene, 4-(1-methylethyl)-phenol, australol, p-isoprophenol |
numbering system
cas number:99-89-8
mdl number:mfcd00002372
einecs number:202-798-8
rtecs number:sl5950000
brn number:1363564
pubchem number:24881681
physical property data
1. properties: white needle-like crystals.
2. density (g/ml, 25℃): 0.98
3. relative density (20℃, 4℃): 0.990
4. melting point (ºc): 62.1
5. boiling point (ºc, normal pressure): 230
6. liquid phase standard combustion heat (enthalpy) (kj·mol-1): -4990.7
7. normal temperature refractive index (n20d): 1.5229
8. gas phase standard combustion heat (enthalpy) (kj·mol-1): -5047.2
9. gas phase standard claimed heat (enthalpy) (kj·mol -1): -209.4
10. the liquid phase standard claims heat (enthalpy) (kj·mol-1): -265.9
11. vapor pressure (mmhg, 20 ºc): undetermined
12. saturated vapor pressure (kpa, 67ºc): 0.13
13. crystalline phase standard combustion heat (enthalpy) (kj·mol-1): -4976.9
14. the crystal phase standard claims heat (enthalpy) (kj·mol-1): -279.7
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: slightly soluble in water, easily soluble in ethanol and ether.
toxicological data
acute toxicity: mouse oral ld50: 875mg/kg; mouse peritoneal cavity ldl0: 250mg/kg; mouse intravenous injection ld50: 40mg/kg;
ecological data
this substance is slightly hazardous to water.
molecular structure data
1. molar refractive index: 42.31
2. molar volume (cm3/mol): 137.9
3. isotonic specific volume (90.2k): 337.3
4. surface tension (dyne/cm): 35.7
5. dielectric constant:
6. dipole moment (10-24cm3):
7. polarizability: 16.77
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: 2
6. topological molecule polar surface area 20.2
7. number of heavy atoms: 10
8. surface charge: 0
9. complexity: 90.9
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. exist in smoke.
storage method
avoid contact with oxidants, acid anhydrides, and acid chlorides.
synthesis method
none yet
purpose
used in organic synthesis.
