Vitamin K1 Vitamin K1
Structural formula
| Business number | 01V4 |
|---|---|
| Molecular formula | C31H46O2 |
| Molecular weight | 450.70 |
| label |
Phylloquinone, 2-Methyl-3-phytyl-1,4-naphthoquinone, Phytomenaquinone, 2-Methyl-3-(3,7,11,15-tetramethylhexade-2-enyl)-1,4-naphthoquinone, Phylloquinone, 2-Methyl-3-phytyl-1,4-naphthoquinone, 3-Phytylmenadione, Nutrition supplements |
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.