Structural formula
| Business number | 01F1 |
|---|---|
| Molecular formula | C27H44O |
| Molecular weight | 384.65 |
| label |
(+)-Vitamin D3, 7-Dehydrocholesterol activated, Activated 7-dehydrocholesterol, Calciol, Nutrition supplements |
Numbering system
CAS number:67-97-0
MDL number:MFCD00078131
EINECS number:200-673-2
RTECS number:VS2900000
BRN number:2339331
PubChem number:24893192
Physical property data
1. Properties: White columnar crystals or crystalline powder, odorless and tasteless, good heat resistance, but unstable to light and easily oxidized in the air
2. Density (g/mL, 25/4℃): Uncertain
3. Relative vapor density (g/mL, air=1): Uncertain
4. Melting point (ºC): 84-85
5. Boiling point (ºC, normal pressure): Uncertain
6. Boiling point (ºC, 5.2kPa): Uncertain
7. Refractive index: Uncertain Confirm
8. Flash point (ºC): Uncertain
9. Specific rotation (º): 105 º (c=0.8, EtOH 25 ºC)
10. Autoignition point or ignition temperature (ºC): Uncertain
11. Vapor pressure (kPa, 25ºC): Uncertain
12. Saturated vapor pressure (kPa, 60ºC): Uncertain
13. Heat of combustion (KJ/mol): Uncertain
14. Critical temperature (ºC): Uncertain
15. Critical pressure (KPa): Uncertain
16. Log value of oil-water (octanol/water) partition coefficient: Uncertain
17. Explosion upper limit (%, V/V) : Uncertain
18. Lower explosion limit (%, V/V): Uncertain
19. Solubility: Soluble in alcohol, ether, acetone, chloroform and vegetable oil, insoluble in Water (<0.1 g/L, 20 ºC)
Toxicological data
Acute toxicity: Infant oral LDLo: 39 mg/kg/34W-I; Rat oral LD50: 42 mg/kg; Mouse oral LD50: 42500 ug/kg; Mouse abdominal LD50: 136 mg/kg; Dog Oral LD50: 80 mg/kg; breeding: rat subcutaneous injection TDLo: 90 mg/kgSEX/DURATION: female 12-20 day(s) after conception;
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 80.73
2. Molar volume (cm3/mol): 186.5
3. etc.��Specific volume (90.2K): 594.5
4. Surface tension (dyne/cm): 103.2
5. Polarizability (10-24cm3): 32
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 7.5
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 6
5. Topological molecular polar surface area (TPSA): 20.2
6. Number of heavy atoms: 28
7. Surface charge: 0
8. Complexity: 610
9. Number of isotope atoms: 0
10. Determine the number of atomic stereocenters : 5
11. Uncertain number of atomic stereocenters: 0
12. Determined number of chemical bond stereocenters: 0
13. Uncertain chemical bond formation Number of structural centers: 2
14. Number of covalent bond units: 1
Properties and stability
Colorless crystal. It is oxidized and deactivated in a few days in humid air. The pure crystal only deteriorates slightly after being stored in a brown vacuum ampoule in the refrigerator for one year. Vitamin D3 is generally more stable than vitamin D2. D3 is found in most human and animal tissues and is abundant in foods such as cod liver oil, liver, fish roe, milk, butter and egg yolks. Human skin contains 7-dehydrocholesterol, the precursor of vitamin D3, which can be converted into D3 by sunlight or ultraviolet rays. Therefore, spending more time in the sun can prevent vitamin D deficiency.
Storage method
3 This product should be sealed and stored in a cool, dry place away from light.
Synthesis method
1. Dissolve 7-dehydrocholesterol in ethanol, use ultraviolet light to open the ring, concentrate the reaction solution, freeze and filter, and concentrate the filtrate to dryness under reduced pressure through nitrogen to obtain crude vitamin D3 liquid. It is then refined to obtain vitamin D3.
2.Extract 7-dehydrocholesterol that cannot be absorbed by the human body from vegetable oil or yeast, dissolve it in chloroform or cyclohexane, and use ultraviolet irradiation to convert it into vitamins
D3
3.Change 7- Dehydrocholesterol is dissolved in ethanol, and the ring is opened by irradiation with ultraviolet light. The reaction solution is concentrated, frozen, and filtered. The filtrate is concentrated to dryness under reduced pressure with nitrogen to obtain crude vitamin D3, which can then be refined.
Purpose
1. Vitamin D is a fat-soluble vitamin. There are more than a dozen compounds known to have the effect of vitamin D, including steroid derivatives. Among them, vitamin D2 and vitamin D3 are of important practical significance. The world is dominated by D3, and the “international standard material” of vitamin D is also a pure crystal of D3. The main function of vitamin D is the metabolism of calcium and phosphorus, and it is difficult to promote the absorption of calcium and phosphorus and bone calcification. When the human body is deficient in D, its ability to absorb calcium and phosphorus is reduced, and the levels of calcium and phosphorus in the blood decrease, so that calcium and phosphorus cannot be deposited in bone tissue, and bone salts may even dissolve, hindering bone calcification. Children who are deficient will suffer from rickets, and adults will suffer from osteomalacia. Japan mainly produces and uses D2. Among various demands, pharmaceuticals account for 30%, feed additives account for 65%, and food additives account for 5%. According to the “Hygienic Standards for the Use of Food Nutritional Supplements (1993)” promulgated by the Ministry of Health of my country, D2 and D3 as nutritional supplements can be used in liquid milk, margarine, dairy products and infant food.
2.Vitamin fortifier. It can be used in beverages, juices, candies, bread, cans, infant food, high-speed cereals and other products. Our country stipulates that it can be used to fortify margarine, the usage amount is 125-156μg/kg; the usage amount in fortified dairy products is 63-125μg/kg; the usage amount in fortified infant food is 50-100μg/kg; in fortified milk and The usage amount in milk drinks is 10-40μg/kg; the usage amount in fortified solid drinks and ice cream is 10-20μg/kg.
3.Vitamin D3 can maintain normal calcium and phosphorus metabolism and promote the body’s absorption of calcium and phosphorus. Pigs have the same utilization rate of vitamin D2 and vitamin D3, but the utilization rate of vitamin D2 in poultry is only 1/3 to 1/40 of D3. When D3 is deficient, the eggshell becomes thinner, the egg production rate decreases, and rickets occurs.
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