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Colecalciferol Structure

Colecalciferol

Chemical Properties

Melting point 83-86 °C(lit.)
alpha  105 º (c=0.8, EtOH 25 ºC)
Boiling point 451.27°C (rough estimate)
Density  0.9717 (rough estimate)
vapor pressure  2.0 x l0-6 Pa (20 °C, est.)
refractive index  1.5100 (estimate)
Flash point 14 °C
storage temp.  -20°C
solubility  Practically insoluble in water, freely soluble in ethanol (96 per cent), soluble in trimethylpentane and in fatty oils. It is sensitive to air, heat and light. Solutions in solvents without an antioxidant are unstable and are to be used immediately. A reversible isomerisation to pre-cholecalciferol takes place in solution, depending on temperature and time. The activity is due to both compounds.
pka 14.74±0.20(Predicted)
form  powder
color  White
Odor odorless
Water Solubility  <0.1 g/L (20 ºC)
Sensitive  Air & Light Sensitive
Merck  14,10019
BRN  2339331
Stability Light Sensitive, Temperature Sensitive
InChIKey QYSXJUFSXHHAJI-YRZJJWOYSA-N
LogP 9.085 (est)
Substances Added to Food (formerly EAFUS) VITAMIN D-3
SCOGS (Select Committee on GRAS Substances) Vitamin D3 (cholecalciferol)
FDA 21 CFR 310.545
CAS DataBase Reference 67-97-0(CAS DataBase Reference)
EWG's Food Scores 2-5
FDA UNII 1C6V77QF41
NCI Dictionary of Cancer Terms cholecalciferol
NCI Drug Dictionary cholecalciferol
NIST Chemistry Reference Cholecalciferol(67-97-0)
EPA Substance Registry System Cholecalciferol (67-97-0)

Safety

Symbol(GHS)
Signal wordDanger
Hazard statements H300+H310+H330-H372
Precautionary statements P260-P262-P280-P302+P352+P310-P304+P340+P310-P314
Hazard Codes  Xn,T
Risk Statements  26-24/25 -48/25
Safety Statements  28-45-36/37
WGK Germany  2
RTECS  VS2900000
8-10-23
TSCA  Yes
HS Code  29362990
Hazardous Substances Data 67-97-0(Hazardous Substances Data)
Toxicity LD50 oral in rat: 42mg/kg
NFPA 704:
1
1

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