Orotic acid Orotic acid
Structural formula
| Business number | 01E0 |
|---|---|
| Molecular formula | C5H4N2O4 |
| Molecular weight | 156.11 |
| label |
Vitamin B13; uracilcarboxylic acid; 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid, Orotic acid; Vitamin B13, 6-Carboxyuracil, Uracil-6-carboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylic acid, Vitamin B13, vitamin medicine |
Numbering system
CAS number:65-86-1
MDL number:MFCD00006027
EINECS number:200-619-8
RTECS number:DG0875000
BRN number:636131
PubChem number:24897967
Physical property data
1. Properties: White crystalline powder, odorless, sour taste.
2. Density (g/mL, 25/4℃): Uncertain
3. Relative vapor density (g/mL, air=1): Uncertain
4. Melting point (ºC): >300
5. Boiling point (ºC, normal pressure): Uncertain
6. Boiling point (ºC, 5.2kPa): Uncertain
7. Refractive index: Uncertain
8. Flash point (ºC): Uncertain
9. Specific rotation (º): Uncertain
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. Oil-water (octanol/water) partition coefficient Log value: Uncertain
17. Explosion upper limit (%, V/V): Uncertain
18. Explosion lower limit (%, V/V): Uncertain
19. Solubility: Hardly soluble in water (0.18%), solubility in boiling water is 13%, very slightly soluble in alcohol and organic solvents, and insoluble in ether. Dissolve into salt when meeting alkali
Toxicological data
Acute toxicity: Mouse oral LC50: 2 mg/kg; Mouse intraperitoneal LC50: 841 mg/kg; Mouse intravenous LC50: 770 mg/kg; Mutagenicity: Bacteria-Escherichia coli phage inhibition capacitance test system: 1 gm/ L; Rat oral morphological changes: 25200 mg/kg/6W; Rat oral DNA inhibition: 14 gm/kg/14D (continuous); Mouse liver DNA inhibition test system: 120 umol/L;
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 31.11
2. Molar volume (cm3/mol): 95.0
3. Isotonic specific volume (90.2K ): 273.5
4. Surface tension (dyne/cm): 68.5
5. Polarizability (10-24cm3): 12.33
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 9
6. Topological molecule polar surface area 95.5
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 268
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
None yet
Storage method
Food-grade plastic bag coated with kraft paper bag sealed packaging. Store in a cool, dry warehouse. Resistant to moisture, moisture and mildew.
Synthesis method
1. It can be extracted from the by-products of lactose production. After lactose is separated from the milk, the mother liquor first passes through a cation exchange resin column, and the eluate then passes through an anion exchange resin column. The eluate is collected and concentrated, left to stand to precipitate crystals, and filtered to obtain crude orotic acid.
2.Synthetic method
Purpose
1. This product is a vitamin drug, suitable for hyperuricemia, hypercholesterolemia, chronic hepatitis and cirrhosis. It can also be used as an anti-anemia and nutritional fortifier. It has no side effects on the skin, is easily absorbed by the skin in W/O or O/W emulsion, and can promote the absorption of other active ingredients. Used in conjunction with vitamin A and vitamin B12, it can prevent skin pigmentation and has sun protection and anti-aging effects.
2.Orotic acid has no side effects on the skin and is easily absorbed by the skin in W/O or O/W emulsions. Sodium acid acid is absorbed more quickly and promotes the absorption of other active ingredients. It has the ability to significantly retain moisture and is particularly effective for dry skin. The amount added in moisturizers is 0.1% to 0.5%. Used in conjunction with vitamin A and vitamin B12, it can prevent skin pigmentation, sun protection and anti-aging. Use in nail polish to treat poor nail growth and prevent onychomycosis. Add conditioner to prevent hair loss.
