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?????? ??? ???
?? ??:
67-97-0
???:
??????
???(??):
???D3;????;??????;????D3;(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-??????]??????-7a-??-4H-??-4-???]????]-4-??????????;(3b,5Z,7E)-9,10-??????-5,7,10(19)-????-3-?;(3??,5Z,7E)-9,10-??????-5,7,10(19)-????-3-?;9,10-??????-5,7,10(19)-????-3b-?;9,10-??????-5,7,10(19)-????-3-?, (3.??.,5Z,7E)-;??? D3;??????
???:
Vitamin D3
???(??):
CHOLECALCIFEROL;VITAMIN D;COLECALCIFEROL;VITAMINE D3;Manufacturer;Vitamin D3 Crystal;CHOLECALCIFEROL CRYSTALLINE;Cholecalciferol (Vitamin D3);CALCIOL;Cholecalciferol CRS
CBNumber:
CB6104867
???:
C27H44O
??? ??:
384.64
MOL ??:
67-97-0.mol
MSDS ??:
SDS

?????? ??

???
83-86 °C(lit.)
??
105 º (c=0.8, EtOH 25 ºC)
?? ?
451.27°C (rough estimate)
??
0.9717 (rough estimate)
???
2.0 x l0-6 Pa (20 °C, est.)
???
1.5100 (estimate)
???
14 °C
?? ??
-20°C
???
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)
??? ??
??
??
???
??
?? ??
???? ??
synthetic (organic)
???
<0.1g/L(20℃)
??
Air & Light Sensitive
Merck
14,10019
BRN
2339331
Henry's Law Constant
4.3×10-2 mol/(m3Pa) at 25℃, HSDB (2015)
???
???, ?? ???
?? ??
?? ? ??
??? ?? ??
?? ??
?? ???? - ??
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 ??????
67-97-0(CAS DataBase Reference)
NIST
Cholecalciferol(67-97-0)
EPA
Cholecalciferol (67-97-0)
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xn,T
?? ???? ?? 26-24/25 -48/25
????? 28-45-36/37
WGK ?? 2
RTECS ?? VS2900000
F ?????? 8-10-23
TSCA TSCA listed
HS ?? 29362990
???? ??? 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
?? ?? ??? 67-97-0(Hazardous Substances Data)
?? LD50 oral in rat: 42mg/kg
???? ?? KE-30911
?????? ??? 97-1-187
?? ? ???? ????: ????; ???(??)????: ???? ? ?? 1% ?? ??? ???
????(GHS): Skull and Crossbones (GHS06)Health Hazard (GHS08)
?? ?: Danger
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H372 ??? ?? ?? ???? ??(??, ??? ?? ??? ?? ??? ??)? ??? ??? ?? ???? ?? - ?? ?? ?? 1 ?? P260, P264, P270, P314, P501
??????:
P260 ??·?·??·???·??·...·????? ???? ???.
P262 ?, ??, ??? ?? ??? ???.
P280 ????/???/???/?????? ?????.
P314 ???? ??? ???? ??·??? ????.
NFPA 704
1
1

?????? MSDS


9,10-Secocholesta-5,7,10(19)-trien-3beta-ol

?????? C??? ??, ??, ??

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??? D? ???D2? ??? D3? ???. ??? D2? ???, D3? ??? ?? ???? ???, ??? D3? ??? ??? ??? ?? ??.

??

???D? ??? ???? ?????? ?? ??? ??? ??? ??? ???? ????? ? ???? ?? ?????? ???? ????? ? ????? ???? ??? ??? ??? ???? ??? ????? ??? ??? ???? ??? ??.

????

? (1) ???? : ? ?? ? 0.1g? ??? ?? ???? ?? 200mL? ?? ? ?? ???? ??? ?, =+103~+112°??? ??.

??(2) ???? : ? ??? ????? ???? ?? ???? ?? ?? 265nm?? ???? ??? ?, =450~490??? ??.

??(3) 7-????????? : ? ?? 10mg? 90% ??? 2mL? ??? ???? 20mg? 90% ??? 2mL? ?? ?? ??? 18?? ??? ?, ??? ???? ?? ??.

??(4) ?? : ? ??? ??? 84~89℃??? ??.

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????? ????? ?? ??? ????? ??? ? ?? ????? ??.

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? (1) 「???D2」? ???? (1)? ?? ????. ??, ? ??? 133~135℃??.

??(2) 「???D2」? ???? (2)? ?? ????.

??? ??

White or colorless crystalline solid. Odorless;

??

Vitamin D3 analogue.

Indications

Vitamin D is the collective term for a group of compounds formed by the action of ultraviolet irradiation on sterols. Cholecalciferol (vitamin D3) and calciferol (vitamin D2) are formed by irradiation of the provitamins 7- dehydrocholesterol and ergosterol, respectively. The conversion to vitamin D3 occurs in the skin. The liver is the principal storage site for vitamin D, and it is here that the vitamin is hydroxylated to form 25-hydroxyvitamin D. Additional hydroxylation to form 1,25-dihydroxyvitamin D occurs in the kidney in response to the need for calcium and phosphate

??

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.

?? ??

Fine colorless crystals. Water insoluble.

??? ?? ??

Sensitive to moisture, air and light. . Water insoluble.

?? ???

Vitamin D3 may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas.

????

SYMPTOMS: Symptoms of exposure to Vitamin D3 may include weakness, fatigue, lassitude headache, nausea, vomiting, diarrhea, polyuria, polydipsia, nocturia, decrease urinary concentrating ability, proteinuria, tissue calcification, hypertension and osteoporosis.

????

Flash point data for Vitamin D3 are not available. Vitamin D3 is probably combustible.

???

Rodenticide: Used in bait for vermin control. Vitamin D is a steroid hormone that has an important role in regulating body levels of calcium and phosphorus, and in mineralization of bone. Not approved for use in EU countries. Registered for use in the U.S. and other countries.

???

DELSTEROL®; DEPARAL®; D3- VIGANTOL®; QUINTOX®; RAMPAGE®; RICKETON®; TRIVITAN®; VIGORSAN®; VITINC DAN-DEE-3®

Mechanism of action

1, 25-(OH)2D3 exerts its influence within target tissues through high-affinity sterol-specific intracellular receptor proteins.The D3 receptor, similar to steroid receptor systems, translocates the hormone from the cell cytoplasm to the nucleus, where biological response is initiated via transcription and translation.

Clinical Use

The principal disorder associated with inadequate vitamin D intake is rickets. The low blood calcium and phosphate levels that occur during vitamin D deficiency stimulate parathyroid hormone secretion to restore calcium levels. In children, this deficiency leads to the formation of soft bones that become deformed easily; in adults, osteomalacia results from the removal of calcium from the bone.Vitamin D deficiency may occur in patients with metabolic disorders, such as hypoparathyroidism and renal osteodystrophy. The requirement for vitamin D is slightly higher in members of darker-pigmented races, since melanin interferes with the irradiation that produces vitamin D3 in the skin. People with limited exposure to the sun may need to supplement vitamin D intake.

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The hypercalcemia resulting from hypervitaminosis D is responsible for toxic symptoms such as muscle weakness, bone pain, anorexia, ectopic calcification, hypertension, and cardiac arrhythmias. Toxicity in infants can result in mental and physical retardation, renal failure, and death.

Safety Profile

Poison by ingestion. An experimental teratogen. When heated to decomposition it emits acrid smoke and irritating fumes.

??? ??

Sterol rodenticide used in bait for vermin control. Vitamin D is a steroid hormone that has an important role in regulating body levels of calcium and phosphorus, and in mineralization of bone. Not approved for use in EU countries

?? ?? ??

Cholecalciferol (vitamin D3) is the mammalian form of vitamin D. It is normally produced in the skin by the action of UV light on its precursor, 7- dehydrocholesterol. Essential amounts of the vitamin are obtained thus or from dietary sources such as fish oils. The active form of the vitamin is 1,25-dihydroxy-cholecalciferol. Its formation occurs in two stages: 25- hydroxylation in the liver, followed by 1-hydroxylation in the kidney (see Engstrom and Koszewski, 1989 and references cited therein).

?? ??

UN2811 Toxic solids, organic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials, Technical Name Required

Purification Methods

It is converted into its 3,5-dinitrobenzoyl ester and crystallised repeatedly from acetone. The ester is then saponified and the free vitamin is isolated. [Laughland & Phillips Anal Chem 28 817 1956, Beilstein 6 III 2811, 6 IV 4149.]

? ???

Sensitive to air, light, and moisture. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides.

??? ??

Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material’s impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

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