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| CAS No.: | 67-97-0 |
|---|---|
| Name: | Vitamin D3 |
| Molecular Structure: | |
|
|
|
| Formula: | C27H44O |
| Molecular Weight: | 384.646 |
| Synonyms: | calciol;Vigorsan;Ricketon;Cholecalciferol;9,10-Secocholesta-5,7,10(19)-trien-3-ol,(3a,- 5Z,7E)-;colecalciferol;Prestwick_63;activated 7-dehydrocholesterol;CC;Videkhol;Quintox;9,10-Secocholestr-5,7,10(19)-trien-3-ol,3-.beta.,5Z,7E-;(3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol; |
| EINECS: | 200-673-2 |
| Density: | 0.96 g/cm3 |
| Melting Point: | 83-86 °C(lit.) |
| Boiling Point: | 496.4 °C at 760 mmHg |
| Flash Point: | 214.2 °C |
| Solubility: | Water solubility: <0.1 g/L (20 °C) |
| Appearance: | Crystalline |
| Hazard Symbols: |
 T+, T
|
| Risk Codes: | 24/25-26-48/25-23/24/25 |
| Safety: | 28-36/37-45-28A-36/37/39 |
| Transport Information: | UN 2811 6.1/PG 2 |
| PSA: | 20.23000 |
| LogP: | 7.61900 |
| Conditions | Yield |
|---|---|
| With 2,6-di-tert-butyl-4-methyl-phenol; sodium hydroxide; 5-(3-pyridyl)-2,2’-bithiophene In ethanol at 80 - 85℃; for 3.5h; Temperature; Solvent; Reagent/catalyst; Irradiation; | 74% |
| With benzene Irradiation.UV-Licht; unter Luftausschluss; Reinigung ueber das O-<3.5-Dinitro-benzoyl>-Derivat, das O-<3.5-Dinitro-4-methyl-benzoyl>-Derivat oder das Allophanoyl-Derivat; | |
| With diethyl ether Irradiation.UV-Licht; unter Luftausschluss; Reinigung ueber das O-<3.5-Dinitro-benzoyl>-Derivat, das O-<3.5-Dinitro-4-methyl-benzoyl>-Derivat oder das Allophanoyl-Derivat; |
7-dehydrocholesterol
C
vitamin D3
D
Lumisterol3
E
5,6-trans-vitamin D3
| Conditions | Yield |
|---|---|
| Stage #1: 7-dehydrocholesterol In 1,4-dioxane for 0.0833333h; UV-irradiation; Stage #2: 7-dehydrocholesterol | A 12% B 6% C 60% D 8% E 5% |
| Conditions | Yield |
|---|---|
| In ethanol Heating; | 50% |
| In ethanol at 60.1℃; Equilibrium constant; Kinetics; Thermodynamic data; other temperatures; Ea, log A, ΔG(excit.), ΔH(excit.), ΔS(excit.) at 80 deg C; | |
| In ethanol at 60.1℃; Mechanism; other temperatures; isotope effect (9,14,19,19,19-d5); | |
| In ethanol-d6 at 80℃; Rate constant; Equilibrium constant; | |
| In benzene for 3h; Heating; |
2-[(1R,3aS,7aR)-1-((R)-1,5-Dimethyl-hexyl)-7a-methyl-octahydro-inden-(4E)-ylidene]-1-((1R,5R)-2-methylene-bicyclo[3.1.0]hex-1-yl)-ethanol
A
vitamin D3
B
5,6-trans-vitamin D3
| Conditions | Yield |
|---|---|
| With toluene-4-sulfonic acid In 1,4-dioxane; water at 55℃; for 0.166667h; | A 23.8% B 19.2% |
| With toluene-4-sulfonic acid In 1,4-dioxane Yield given. Yields of byproduct given; |
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Molecular Structure:
Molecular Formula: C27H44O
Molecular Weight: 384.6377
IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-Methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Synonyms of Vitamin D3 (CAS NO.67-97-0): 9,10-Secocholesta-5,7,10(19)-trien-3beta-ol ; Cholecalciferol
CAS NO: 67-97-0
Classification Code: Bone Density Conservation Agents ; Growth Substances ; Human Data ; Micronutrients ; Reproductive Effect ; Rodenticide ; Vitamin [antirachitic] ; Vitamins
Melting point: 83-86 °C
Index of Refraction: 1.523
Molar Refractivity: 121.27 cm3
Molar Volume: 396.9 cm3
Surface Tension: 37 dyne/cm
Density: 0.96 g/cm3
Flash Point: 214.3 °C
Enthalpy of Vaporization: 88.02 kJ/mol
Boiling Point: 496.4 °C at 760 mmHg
Vapour Pressure: 6.16E-12 mmHg at 25°C
Vitamin D3 (CAS NO.67-97-0) is used in the intestines the calcium phosphorus absorption and the deposition, and it is used in treating rickets and the ossein malacopathia.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| dog | LD50 | oral | 80mg/kg (80mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) GASTROINTESTINAL: OTHER CHANGES | Journal of the American Veterinary Medical Association. Vol. 193, Pg. 211, 1988. |
| duck | LD50 | oral | > 2gm/kg (2000mg/kg) | Veterinary and Human Toxicology. Vol. 41, Pg. 344, 1999. | |
| infant | TDLo | oral | 39mg/kg/34W-I (39mg/kg) | BEHAVIORAL: ANOREXIA (HUMAN BEHAVIORAL: IRRITABILITY GASTROINTESTINAL: DECREASED MOTILITY OR CONSTIPATION | British Medical Journal. Vol. 295, Pg. 1173, 1987. |
| mouse | LD50 | intraperitoneal | 136mg/kg (136mg/kg) | Veterinary and Human Toxicology. Vol. 31, Pg. 105, 1989. | |
| mouse | LD50 | oral | 42500ug/kg (42.5mg/kg) | Defense des Vegetaux. Vol. 43(255-256), Pg. 14, 1989. | |
| rat | LD50 | oral | 42mg/kg (42mg/kg) | Toxicology and Applied Pharmacology. Vol. 43, Pg. 125, 1978. |
Hazard Codes of Vitamin D3 (CAS NO.67-97-0): 
T+,
T
Risk Statements: 26-48-23/24/25
R26: Very toxic by inhalation.
R48: Danger of serious damage to health by prolonged exposure.
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 28-45-36/37/39
S28: After contact with skin, wash immediately with plenty of soap-suds.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 2811 6.1/PG 2
WGK Germany: 2
RTECS: VS2900000
F: 8-10-23
HazardClass: 6.1
PackingGroup: II
HS Code: 29130000
HS Code: 29362990
