2-Isopropylphenol

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: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 _(n²⁰_D): 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).