Juglone

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:481-39-0

MDL number:MFCD00001684

EINECS number:207-567-5

RTECS number:QJ5775000

BRN number:1909764

PubChem ID:None

Physical property data

1. Properties: yellow needle-like crystals

2. Density (g/m³, 25/4℃): Undetermined

3 . Relative vapor density (g/cm³, air=1): Undetermined

4. Melting point (ºC): 161-163

5. Boiling point (ºC, normal pressure): 250

6. Boiling point (ºC, 5.2kPa): Undetermined

7. Refractive index: Undetermined

8 . Flash point (ºC): Not determined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Not determined

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11. Vapor pressure (kPa, 25ºC): Undetermined

12. Saturated vapor pressure (kPa, 60ºC): Undetermined

13. Heat of combustion (KJ /mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

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

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

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

19. Solubility: Dissolved in hot water

Toxicological data

1. Acute toxicity: Rat oral LD50: 112mg/kg, no detailed description except lethal dose;

Mouse oral LD50: 2500ug/kg, behavior – lethargy (ordinary depressive activity) );

Mouse intraperitoneal LD50: 25 mg/kg, no detailed instructions except the lethal dose;

Dog intravenous LD50: 10 mg/kg, no detailed instructions except the lethal dose ;

2. Oncogenicity data: Mouse transdermal TDLo: 394 mg/kg/53W-I, tumor-tumor RTECS standard, skin and appendages-tumor

3. Mutagenicity data: Microorganism TEST system mutations: Bacteria – Salmonella typhimurium: 30 ug/plate;

Loss and non-disjunction of sex chromosomes: OralTEST system: Insects – Drosophila: 10 pph;

Mutation testing system – not other specifiedTEST systems��Rodent-mouse ascites: 10 mg/kg.

Ecological data

General remarks

Water hazard level 1 (German regulations) (self-assessment via list) This substance is slightly hazardous to water.

Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.

Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 44.78

2. Molar volume (cm³/mol): 120.9

3. Isotonic specific volume (90.2K ): 345.7

4. Surface tension (dyne/cm): 66.7

5. Polarizability (10^-24cm³): 17.75

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: 3

4. Number of rotatable chemical bonds: 0

5. Number of tautomers: 5

6. Topological molecule polar surface area 54.4

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 280

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

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Seal and store in a ventilated, dry place to avoid contact with other oxides.

Synthesis method

Juglone, as the glycoside of hydrogenated juglone (trihydroxynaphthalene), is found in the immature exocarp (green peel) of Juglans juglans and its congener, Black walnut. It can be isolated from natural substances or chemically synthesized.

Purpose

Juglone has hemostatic and antimicrobial activity and has also been used to treat eczema, psoriasis, and tinea pedis. Used as pH indicator agent.