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Basic information

  • Name:
  • Vitamin D2

  • CAS No.:
  • 50-14-6

  • 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

 
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 cm
Polarizability: 49.86×10-24 cm
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: HarmfulXn,VeryT+,ToxicT
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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