67-97-0

Name Vitamin D3
CAS 67-97-0
EINECS(EC#) 200-673-2
Molecular Formula C27H44O
MDL Number MFCD00078131
Molecular Weight 384.64
MOL File 67-97-0.mol

Chemical Properties

Definition A free vitamin D 3, isolated in crystalline state from the 3,5-dinitrobenzoate, produced by irradiation, and equivalent in activity to vitamin D3 of tunaliver oil.
Appearance Crystalline
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)
Fp  14 °C
storage temp.  2-8°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.
form  powder
pka 14.74±0.20(Predicted)
color  White
Odor odorless
biological source synthetic (organic)
Water Solubility  <0.1 g/L (20 ºC)
Sensitive  Air & Light Sensitive
Usage The vitamin that mediates intestinal calcium absorbtion, bone calcium metabolism and probably, muscle activity. Occurs in and is isolated from fish liver oils. Vitamin D acts through a receptor that is a member of the ligand-dependent transcription
Merck  14,10019
BRN  2339331
Henry's Law Constant 4.3×10-2 mol/(m3Pa) at 25℃, HSDB (2015)
Stability: Light Sensitive, Temperature Sensitive
Major Application food and beverages
Cosmetics Ingredients Functions ORAL CARE
SKIN CONDITIONING - MISCELLANEOUS
InChIKey QYSXJUFSXHHAJI-YRZJJWOYSA-N
SMILES CC(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]([C@]1(C)CCC/2)([H])C2=C\C=C(C[C@@H](O)CC3)/C3=C
LogP 9.085 (est)
CAS DataBase Reference 67-97-0(CAS DataBase Reference)
NIST Chemistry Reference Cholecalciferol(67-97-0)
EPA Substance Registry System 67-97-0(EPA Substance)

Safety Data

Symbol(GHS)  Skull and Crossbones (GHS06)Health Hazard (GHS08)
GHS06,GHS08
Signal word  Danger
Hazard statements  H300+H310+H330-H372
Precautionary statements  P260-P262-P280-P302+P352+P310-P304+P340+P310-P314
Hazard Codes  Xn,T
Risk Statements 
R24/25:Toxic in contact with skin and if swallowed .
R26:Very Toxic by inhalation.
R48/25:Toxic: danger of serious damage to health by prolonged exposure if swallowed .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
Safety Statements 
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S36/37:Wear suitable protective clothing and gloves .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
WGK Germany  2
RTECS  VS2900000
8-10-23
TSCA  Yes
HS Code  29362990
Storage Class 6.1A - Combustible acute toxic Cat. 1 and 2
very toxic hazardous materials
Hazard Classifications Acute Tox. 2 Dermal
Acute Tox. 2 Inhalation
Acute Tox. 2 Oral
STOT RE 1 Oral
Safety Profile
Poison by ingestion. An experimental teratogen. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazardous Substances Data 67-97-0(Hazardous Substances Data)

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