p-methylbenzyl alcohol

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:589-18-4

MDL number:MFCD00004664

EINECS number:209-639-1

RTECS number:DO9370000

BRN number:1856550

PubChem number:24847799

Physical property data

1. Physical property data

1. Properties: Colorless needle-like crystals.

2. Melting point (℃): 61.5

3. Boiling point (ºC): 217

4. Solubility: soluble in alcohol; ether; chloroform, Slightly soluble in water.

5. Relative density (20℃, 4℃): 0.978²²

Toxicological data

Acute toxicity:

Classification-related LD/LC50 values:

Oral LD50 1400mg/kg(mus)

3900mg/kg(rat)

Skin LD50 5gm/kg(rbt)

Ecological data

3. Ecological data:

1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

None yet

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: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 9

8. Surface charge: 0

9. Complexity: 72.6

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

None yet

Storage method

Storage:

Seal the container and store it in a sealed main container in a cool, dry place.

Synthesis method

1. Brief description of the production method

Toluene is chloromethylated to obtain p-chloromethyltoluene, which is then saponified with alkali to produce p-methylbenzyl alcohol.

Purpose

2. Use

Used as an organic synthesis intermediate, it can be used to prepare plasticizers, organotin-based vinyl chloride stabilizers; non-mercury pesticides, and spices; surface active substances.��etc. This product has excellent solubility for many synthetic resins such as epoxy, alkyd, acrylic, melamine, and various celluloses; rosin; vegetable oils, etc., and can be used as a high-boiling point solvent for paints; paint stripper components; and ballpoint pen oil solvents. , also used in dyeing auxiliaries for wool, etc.; rubber regenerants; photographic chemicals, etc.

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