CAS No.50-14-6,Vitamin D2 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	50-14-6
Name:	Vitamin D2
Article Data:	45
Cas Database

Formula:	C₂₈H₄₄O
Molecular Weight:	396.657
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;
EINECS:	200-014-9
Density:	0.97 g/cm³
Melting Point:	114-118 °C(lit.)
Boiling Point:	504.2 °C at 760 mmHg
Flash Point:	218.2 °C
Solubility:	H₂O: 200 mg/mL, clear to hazy
Appearance:	odorless white crystals
Hazard Symbols:	Xn, T+, T
Risk Codes:	22-48/25-26-24/25-40-23/24/25
Safety:	28-36/37-45-28A-36-26-36/37/39-22
Transport Information:	UN 2811 6.1/PG 2
PSA:	20.23000
LogP:	7.64100

Synthetic route

: 4712-11-2
(3S,5Z,7E)-3-(3,5-dinitro-benzoyloxy)-9,10-seco-ergosta-5,7,10(19),22t-tetraene

: 50-14-6
Calciferol

Conditions

Conditions	Yield
With sodium hydroxide In ethanol at 20℃; for 0.75h; Inert atmosphere;	91%

: 57-87-4
Ergosterol

: 50-14-6
Calciferol

Conditions

Conditions	Yield
Stage #1: Ergosterol In 1,4-dioxane Irradiation; Stage #2: at 100℃;	23%
With diethyl ether Irradiation.mit UV-Licht (durch aethanol. Xylol-Loesung gefiltert);
Einwirkung elektrischer Entladungen;

: 60-29-7
diethyl ether

: 57-87-4
Ergosterol

: 50-14-6
Calciferol

Conditions

Conditions	Yield
mit UV-Licht unter Kuehlung bei Luftausschluss.Irradiation;

: 60-29-7
diethyl ether

: 57-87-4
Ergosterol

A: 50-14-6
Calciferol

B: 474-69-1
lumisterol

C: 115-61-7
tachysterol

Conditions

Conditions	Yield
mit UV-Licht unter Kuehlung bei Luftausschluss.Irradiation;

...Expand

: 60-29-7
diethyl ether

: 57-87-4
Ergosterol

A: 50-14-6
Calciferol

B: 115-61-7
tachysterol

Conditions

Conditions	Yield
mit UV-Licht unter Kuehlung bei Luftausschluss.Irradiation;

...Expand

: 60-29-7
diethyl ether

: 474-69-1
lumisterol

: 50-14-6
Calciferol

Conditions

Conditions	Yield
UV-Licht.Irradiation;
UV-Licht.Irradiation;

: 60-29-7
diethyl ether

: 115-61-7
tachysterol

: 50-14-6
Calciferol

Conditions

Conditions	Yield
at 20℃; UV-Licht.Irradiation;

: 21307-05-1
previtamin D2

: 50-14-6
Calciferol

Conditions

Conditions	Yield
With benzene at 60℃; Lichtausschluss;
Multi-step reaction with 2 steps 2: diethyl ether / Irradiation.mit UV-Licht (Magnesium-Funken) View Scheme

: 51744-66-2
3β-hydroxy-9,10-secoergosta-5(E),7(E),10(19),22(E)-tetraene

: 50-14-6
Calciferol

Conditions

Conditions	Yield
Irradiation.UV-Licht <λ: >290 nm>;

: 474-69-1
lumisterol

: 50-14-6
Calciferol

Conditions

Conditions	Yield
With diethyl ether Irradiation.mit UV-Licht (Magnesium-Funken);
With diethyl ether Irradiation.mit UV-Licht (Magnesium-Funken);

Raw Materials

60-29-7

115-61-7

64-17-5

96685-53-9

131852-63-6

55812-80-1

71-43-2

474-69-1

Downstream Products

520-91-2

67-96-9

Total:238 Page 1 of 7 1 2 3 4 5 6 …7 Next>>

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Consensus Reports

EPA Extremely Hazardous Substances List.

Specification

Vitamin D2 is a provitamin form of vitamin D, also called Ergocalciferol. With then CAS number 50-14-6, Ergocalciferol may be used as a vitamin D supplement, and a 2011 clinical guideline considered it to be as effective as cholecalciferol. 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. Vitamin D2 is also called VIOSTEROL;(3beta,5Z,7E,22E)-9,10-Secoerga-5,7,10(19),22-tetraen-3-ol; (3beta,5Z,7E,22E)-9,10-Secoergosta-5,7,10(19)-,22-tetraen-3-ol; (3-beta,5z,7e,22e)-9,10-secoergosta-5,7,10,(19),22-tetraen-3-ol; (5E,7E,22E)-9,10-Secoergosta-5,7,10,22-tetraen-3-ol.

Physical properties about Vitamin D2 are: (1)ACD/LogP: 9.148; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.15; (4)ACD/LogD (pH 7.4): 9.15; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 2255513.00; (8)ACD/KOC (pH 7.4): 2255513.00; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 125.793 cm³; (14)Molar Volume: 406.99 cm³; (15)Polarizability: 49.868 10-24cm³; (16)Surface Tension: 37.2000007629395 dyne/cm; (17)Density: 0.975 g/cm³; (18)Flash Point: 218.211 °C; (19)Enthalpy of Vaporization: 89.077 kJ/mol; (20)Boiling Point: 504.199 °C at 760 mmHg

When you are using Vitamin D2, please be cautious about it as the following:
1. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer);
2. Wear suitable protective clothing and gloves;
3. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);
4. Wear suitable protective clothing;
5. Wear suitable protective clothing, gloves and eye/face protection;

You can still convert the following datas into molecular structure:
(1)InChI=1S/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;
(2)InChIKey=MECHNRXZTMCUDQ-RKHKHRCZSA-N;
(3)SmilesC1[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;

The toxicity data is as follows:

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)	GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: FLUID INTAKE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	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)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	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)	GASTROINTESTINAL: NAUSEA OR VOMITING BEHAVIORAL: ANOREXIA (HUMAN	Lancet. Vol. 1, Pg. 1164, 1980.

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