Structural formula
| Business number | 01ZX |
|---|---|
| Molecular formula | C9H12O |
| Molecular weight | 136 |
| label |
o-Isopropylphenol, o-Hydroxycumene, o-Isopropylphenol, 2-(1-Methylethyl)phenol, 1-Hydroxy-2-isopropylbenzene |
Numbering system
CAS number:88-69-7
MDL number:MFCD00002224
EINECS number:201-852-8
RTECS number:SL5900000
BRN number:1363322
PubChem number:24847907
Physical property data
1. Properties: liquid at room temperature
2. Melting point (ºC): 15~16
3. Boiling point (ºC): 213~214
4. Relative density (d204): 1.012
5. Freezing point (ºC): 88
6. Solubility: soluble in benzene, ether, alcohol and other organic solvents.
7. Flash point (ºC): 107
8. Refractive index (n20D): 1.528
Toxicological data
Ecological data
None
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. Polarizability (10-24cm3): 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: 3
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 98.9
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
Corrosive, packed in plastic barrels.
Synthesis method
It is obtained by alkylation reaction of phenol and propylene.
Purpose
Intermediate for the synthesis of the pesticide isoprocarb (2-isopropylphenyl-N-methylcarbamate).
