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.