4,4-Bis(4-hydroxyphenyl)valeric acid 4,4-Bis(4-hydroxyphenyl)valeric acid

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:126-00-1

MDL number:MFCD00002800

EINECS number:204-763-2

RTECS number:None

BRN number:1886361

PubChem number:24891702

Physical property data

1. Character: light tan particles

2. Melting point: 171-172℃

3. Relative density: 1.30-1.32

4. Solubility: soluble in acetic acid, acetone, ethanol, insoluble in benzene, carbon tetrachloride and xylene, slightly soluble in water

Toxicological data

None

Ecological data

None

Molecular structure data

1. Molar refractive index: 78.99

2. Molar volume (cm³/mol): 227.2

3. Isotonic specific volume (90.2K): 621.1

4. Surface tension (dyne/cm): 55.8

5. Polarizability (10-24cm3): 31.31

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 3.3

2. Number of hydrogen bond donors: 3

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 5

5. Number of tautomers: 3

6. Topological molecule polar surface area 77.8

7. Number of heavy atoms: 21

8. Surface charge: 0

9. Complexity: 317

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

Basic properties: The molecule contains multiple active reactive groups and can derive many compounds.

Storage method

Storage: sealed and stored.

Synthesis method

Brief description of the production method: The crude product is obtained by reacting levulinic acid and phenol in an acidic medium in the presence of a catalyst, and the finished product is obtained after refining

Purpose

Usage: Mainly used to produce various synthetic resins, water-soluble filter paper resins; electrophoretic paints; bright ink resins and coatings, as well as lubricating oil additives, cosmetics, plasticizers, and textile auxiliaries.