Vitamin K1 Vitamin K1

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:84-80-0

MDL number:MFCD00214063

EINECS number:201-564-2

RTECS number:QJ5800000

BRN number:2568816

PubChem number:24871410

Physical property data

1. Properties: yellow-orange transparent viscous liquid, odorless

2. Density (g/mL, 25/4℃): 0.984

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

4. Melting point (ºC): -20

5. Boiling point (ºC, normal pressure): 140 (13.33pa)

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

7. Refractive index_(n²⁰ _D): 1.527

8. Flash point (ºC): >110

9. Specific rotation (º): Undetermined

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

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. Log value of oil-water (octanol/water) partition coefficient: Undetermined

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

18. Lower explosion limit (%, V/V): Undetermined

19. Solubility: Insoluble in water, slightly soluble in oil and organic solvents

Toxicological data

Acute toxicity:

Human muscle TDL0: 11429ug/kg/8D-I;

Rat caliber LD50: >33487mg/kg;

Small Mouse caliber LD50: 25mg/kg; mouse subcutaneous LD50; 1mg/kg

Mouse intravenous LD50::>6570mg/kg

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 140.15

2. Molar volume (cm³/mol): 474.7

3. Isotonic specific volume (90.2K): 1156.4

4. Surface tension (dyne/cm): 35.2

5. Polarizability (10^-24cm³): 55.56

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): 10.9

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 14

5. Number of tautomers: 5

6. Topological molecular polar surface area (TPSA): 34.1

p>

7. Number of heavy atoms: 33

8. Surface charge: 0

9. Complexity: 696

10. Number of isotope atoms : 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 2

13. Determine the chemical bond configuration Number of centers: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

1. Exists in flue-cured tobacco leaves and burley tobacco leaves.

2. It is unstable and decomposes under the action of light, oxidants, strong acids or halogens. Participates in the synthesis of prothrombin in the liver.

Storage method

This product should be sealed and stored in a cool, dry place.

Synthesis method

1. Obtained from toluoquinone reduction, acetylation, condensation with phytol, etc., and then oxidation. It can also be extracted from alfalfa or other plants.

2.O-menaquinone and acetic anhydride are reduced and acetylated in the presence of zinc to form acetylated menaquinone, which is hydrolyzed and condensed Dihydrogenated vitamin K1 is obtained, which is then hydrolyzed,oxidized, purified, and refined.

3. Tobacco: FC, BU, 1.

Purpose

1. Mainly used to treat neonatal malabsorption or vitamin deficiency caused by drugs and hypoprothrombinemia caused by broad bean anticoagulant drugs.

2.It is used as a food fortifier and can be used in infant food. The dosage is 420~475μｇ/kg.