Basic information
- Name:
Vitamin D2
- CAS No.:
50-14-6
- Molecular Structure:

- Formula:
- C28H44O
- Synonyms:
- 9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol,(3b,5Z,7E,22E)- (9CI);Cyclohexanol,4-methylene-3-[2-[tetrahydro-7a-methyl-1-(1,4,5-trimethyl-2-hexenyl)-4(3aH)-indanylidene]ethylidene]-(6CI);Ergocalciferol (7CI,8CI);(+)-Vitamin D2;9,10-Secoergosta-5,7,10(19),22-tetraen-3b-ol;Cyclohexanol,4-methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-,(1S,3Z)-;Calciferol;Condocaps;Condol;Crystallina;D-Arthin;D-Tracetten;Davitin;Decaps;Dee-Ron;Dee-Ronal;Deltalin;Deratol;Diviturto;Drisdol;Ergorone;Ertron;Fortodyl;Geltabs;Hi-Deratol;Infron;Metadee;Mina D2;Mulsiferol;Mykostin;NSC 62792;Osteil;Ostelin;Radiostol;Radsterin;Rodine C;Shock-ferol;Sterogyl;Uvesterol D;
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Chemistry
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IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
Molecular Formula: C28H44O
Molecular Weight: 396.65 g/mol
SMILES: C1[C@@]2([C@H](\C(=C\C=C3/C(CC[C@@H](C3)O)=C)CC1)CC[C@@H]2[C@@H](\C=C\[C@@H](C(C)C)C)C)C
InChI: InChI=1/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h9-10,12-13,19-20,22,25-27,29H,4,7-8,11,14-18H2,1-3,5-6H3/b10-9+,23-12+,24-13-/t20-,22+,25-,26+,27-,28+/m0/s1
EINECS: 200-014-9
Classification Code: Agricultural Chemical; Drug / Therapeutic Agent; Human Data; Reproductive Effect; Rodenticide; Vitamin [antirachitic]
Product Categories: Vitamins - Deuterated; Biochemistry; Vitamins; Nutritional Supplements; Vitamins and derivatives; Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals
Index of Refraction: 1.53
Molar Refractivity: 125.79 cm3
Molar Volume: 406.9 cm3
Polarizability: 49.86×10-24 cm3
Surface Tension: 37.2 dyne/cm
Density: 0.97 g/cm3
Flash Point: 218.2 °C
Enthalpy of Vaporization: 89.08 kJ/mol
Boiling Point: 504.2 °C at 760 mmHg
Melting Point: 114-118 °C
alpha: 82 °(c=3, in acetone 25 °C)
Storage temperature: 2-8 °C
Solubility: H2O: 200 mg/mL, clear to hazy
Vapour Pressure of Ergocalciferol (CAS NO.50-14-6): 2.81E-12 mmHg at 25 °C
Uses
Ergocalciferol (CAS NO.50-14-6) is used to made with propylene glycol or sesame oil in commercial solutions.
Production
Ergosterol gliadin in ethanol, in the UV irradiation open-loop, the reaction solution vacuum concentration, frozen, filtration. Filter liquid nitrogen, vacuum concentration to dry, vitamin D2 crude oil, refined products in.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LDLo | oral | 5mg/kg (5mg/kg) | Drugs in Japan Vol. 6, Pg. 128, 1982. | |
| dog | LDLo | intramuscular | 5mg/kg (5mg/kg) | Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 116, Pg. 138, 1950. | |
| dog | LDLo | intraperitoneal | 10mg/kg (10mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: FLUID INTAKE GASTROINTESTINAL: NAUSEA OR VOMITING | Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 116, Pg. 138, 1950. |
| dog | LDLo | intravenous | 5mg/kg (5mg/kg) | Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 116, Pg. 138, 1950. | |
| dog | LDLo | oral | 4mg/kg (4mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING | Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 116, Pg. 138, 1950. |
| duck | LD50 | oral | > 2gm/kg (2000mg/kg) | Defense des Vegetaux. Vol. 43(255-256), Pg. 14, 1989. | |
| guinea pig | LDLo | oral | 40mg/kg (40mg/kg) | Drugs in Japan Vol. 6, Pg. 128, 1982. | |
| mouse | LD50 | oral | 23700ug/kg (23.7mg/kg) | Pesticide Manual. Vol. 9, Pg. 115, 1991. | |
| rat | LD50 | oral | 10mg/kg (10mg/kg) | "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revisionVol. 3, Pg. 132, 1986. | |
| women | TDLo | oral | 12600ug/kg/72 (12.6mg/kg) | BEHAVIORAL: ANOREXIA (HUMAN GASTROINTESTINAL: NAUSEA OR VOMITING | Lancet. Vol. 1, Pg. 1164, 1980. |
Consensus Reports
EPA Extremely Hazardous Substances List.
Safety Profile
Poison by ingestion, intraperitoneal, intravenous, and intramuscular routes. An experimental teratogen. Human systemic effects by ingestion: anorexia, nausea or vomiting, and weight loss. Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes:
Xn,
T+,
T
Risk Statements: 22-48/25-26-24/25-40-23/24/25
R22: Harmful if swallowed.
R48: Danger of serious damage to health by prolonged exposure.
R25: Toxic if swallowed.
R26: Very toxic by inhalation.
R40: Limited evidence of a carcinogenic effect.
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.
Safety Statements: 28-36/37-45-28A-36-26-36/37/39-22
S28: After contact with skin, wash immediately with plenty of soap-suds.
S36/37: Wear suitable protective clothing and gloves.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36: Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
S22: Do not breathe dust.
RIDADR: UN 2811 6.1/PG 2
WGK Germany: 3
RTECS: KE1050000
F: 1-8-10
HazardClass: 6.1(a)
PackingGroup of Ergocalciferol (CAS NO.50-14-6): II
Specification
Ergocalciferol (CAS NO.50-14-6), its Synonyms are Viosterol ; Vitamin D2 ; (+)-Vitamin D2 ; (3-beta,5Z,7E,22E)-9,10-Secoergosta-5,7,10,(19),22-tetraen-3-ol ; 9,10-Seco(5Z,7E,22E)-5,7,10(19),22-ergostatetraen-3-ol ; 9,10-Secoergosta-5,7,10(19),22-tetraen-3-beta-ol ; Activated ergosterol ; Buco-D ; Calciferol ; Calciferolum ; Davitamon D ; Davitin ; De-rat concentrate ; Cyclohexanol, 4-methylene-3-((2E)-2-((1R,3aS,7aR)-octahydro-7a-methyl-1-((1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl)-4H-inden-4-ylidene)ethylidene)-, (1S,3Z)- . It is odorless white crystals.
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