4-n-Nonylphenol 4-n-Nonylphenol

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:104-40-5

MDL number:MFCD00002396

EINECS number:203-199-4

RTECS number:SM5650000

BRN number:2047450

PubChem number:24870131

Physical property data

1. Properties: light yellow viscous liquid with a slight phenol smell.

2. Relative density (g/mL, 20/20℃): 0.950

3. Relative vapor density (g/mL, air=1): Undetermined

4. Melting point (ºC): 42.5

5. Boiling point (ºC, normal pressure): 180.5²⁰

6. Refractive index at room temperature (n²⁵): 1.4920^45.5

7. Refractive index: 1.513

8. Flash point (ºC): 110 (Open cup)

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg, ºC): Not determined

12. Saturation vapor pressure (kPa, ºC): Not determined

13. Heat of combustion (KJ/mol): Not determined Determined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/water ) Log value of distribution coefficient: Undetermined

17. Explosion upper limit (%, V/V): Undetermined

18. Explosion lower limit (%, V/V): Undetermined Determine

19. Solubility: Soluble in benzene, aniline, heptane, fatty alcohol, ethylene glycol, etc., almost insoluble in water or dilute alkali solution.

Toxicological data

1. Acute toxicity: Rat oral LD50: 1620mg/kg;

2. Oral administration is toxic.

��Ecological data

It is extremely harmful to water and toxic to fish. Do not let the product enter the water body.

Molecular structure data

1. Molar refractive index: 70.11

2. Molar volume (cm³/mol): 236.2

3. Isotonic specific volume (90.2K ): 577.3

4. Surface tension (dyne/cm): 35.6

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 27.79

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: 8

5. Number of tautomers: 2

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 16

8. Surface charge: 0

9. Complexity: 148

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

Avoid contact with oxides. It is corrosive and irritating and can cause burns. Protective clothing should be worn when using.

Storage method

Store in a cool, ventilated warehouse. Keep away from fire, heat and water sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with the appropriate variety and quantity of fire equipment. Suitable materials should be available in the storage area to contain spills.

Synthesis method

None yet

Purpose

Used as solvents, cleaning agents, antistatic agents, foaming agents, lubricant additives, resins, plasticizers, and surfactants.