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Home> Hot Product Listed V   > Vitamin D2

Vitamin D2

CAS No.:50-14-6
EINECS(EC#):200-014-9
Molecular Weight:396.65
Molecular Formula:C28H44O (Products with the same molecular formula)
MOL File:50-14-6.mol
Names and Identifiers
Synonyms

Vitamin D2 Ertron DHT Shock-ferol Drisdol Condol Davitin Divit urto Ergorone Geltabs Calderol Rocaltrol Condacaps Crystallina Radiostol Calciferolum BUCO-D Calciferon 2 Daral Vitavel-D Dee-ron Decaps Detalup Arthin Deltalin Doral Mykostin Oleovitamin D2 Hytakerol Ergocalciferolum Infron 9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, (3beta,5Z,7E,22E)- Davitamon D Ergosterol, activated Vitamin D Fortodyl Crtron Metadee Hi-deratol(3beta)-9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol Viosterol Diactol Radsterin Deratol Calciferol Dee-ronal Ergocalciferol Ostelin Secoergosta-5,7,10(19),22-tetraen-3-ol, (3beta,5Z,7E,22E)- Dee-osterol Mulsiferol

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
InChkey
MECHNRXZTMCUDQ-HXLIECEWSA-N
Canonical Smiles
CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C
Isomers Smiles
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]
(CCC3=C)O)C
Properties
Appearance
odorless white crystals
Density
0.97 g/cm3
Melting Point
115-119℃
Boiling Point
504.2 oC at 760 mmHg
Refractive Index
1.53
Flash Point
218.2 oC
Alpha
82 o (C=3, IN ACETONE 25 oC)
Water
H2O: 200 mg/mL, clear to hazy
Solubilities
H2O: 200 mg/mL, clear to hazy
Color/Form
Prisms from acetone
White crystals
Colorless crystals
Storage temp
2-8°C
Spectral properties
Specific optical rotation: +82.6 @ 25 deg C/D (c= 3 in acetone); +102.5 @ 20 deg C/D (alcohol); specific optical rotation: +52 @ 20 deg C/D (chloroform); UV max absorption (hexane): 264.5 nm (e= 458.9 +/- 7.5, 1%, 1 cm)
MAX ABSORPTION (ALCOHOL): 265 NM (LOG E= 4.27)
IR: 14471 (Sadtler Research Laboratories Prism Collection)
UV: 5-899 (Organic Electronic Spectral Data, Phillips et al, John Wiley & Sons, New York)
NMR: 364 (Varian Associates NMR Spectra Catalogue)
MASS: 33088 (NIST/EPA/MSDC Mass Spectral Database, 1990 version)
Safety and Handling
Hazard Codes
T+:Verytoxic;
Risk Statements
R24/25;R26;R48/25
Safety Statements
S28;S36/37;S45
HazardClass
6.1(a)
Safety

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:?Xn,T+,T
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

PackingGroup
II
Transport
UN 2811
Formulations/Preparations
Ergocalciferol capsules usually consist of the drug in an edible oil solution encapsulated with gelatin. Commercially available ergocalciferol solution is a clear solution of the drug in an edible vegetable oil or in propylene glycol. Ergocalciferol injection is a sterile solution of the drug in sesame oil.
Ergocalciferol is also commercially available in combination with other vitamins and minerals, analgesic-antipyretics, amino acids, infant formulas, laxatives, and protein supplements.
Parenteral: Injection (for IM use only): 12.5 mg (500,000 units) per mL, Calciferol (in oil), (Schwarz)
Ergocalciferol (calciferol; Drisdol) is pure vitamin D2. ... Available in capsules or tablets that contain 1.25 mg (50,000 USP units) each. An oral solution (8,000 units/mL) of the vitamin in propylene glycol is also available. An injection in oil (500,000 units/mL) is available for im administration. ... Dihydrotachysterol (DHT; hytakerol) is the pure crystalline compound obtained by reduction of vitamin D2 ... Available as tablets (0.125 to 0.4 mg), capsules (0.125 mg), an oral soln (0.2 mg/mL) & a soln in oil (0.2 mg/mL).
Grades: USP, FCC as vitamin D2.
... Four main types of vitamin D preparations: (1) fish liver oils ... (2) multivitamin ... (3) Preparations containing vitamin D & calcium salts ... (4) preparation containing vitamin D activity alone.
Commercial solutions are usually made with propylene glycol or sesame oil.
Exposure Standards and Regulations
Manufacturers, packers, and distributors of drug and drug products for human use are responsible for complying with the labeling, certification, and usage requirements as prescribed by the Federal Food, Drug, and Cosmetic Act, as amended (secs 201-902, 52 Stat. 1040 et seq., as amended; 21 U.S.C. 321-392).
Vitamin D2 used as a dietary supplement in food for human consumption is generally recognized as safe when used in accordance with good manufacturing practice.
Vitamin D2 used as a nutrient and/or dietary supplement in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice.
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.

Octanol/Water Partition Coefficient
log Kow = 10.44 /Estimated/
Report

EPA Extremely Hazardous Substances List.

Disposal Methods
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. 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.
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 50-14-6 EC: 200-014-9 Vitamin D2 ·ECHA C&L Inventory for CAS: CAS: 50-14-6 EC: 200-014-9 Vitamin D2
MSDS

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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name Vitamin D2

1.2 Other means of identification

Product number -
Other names Doral

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

Company XiXisys.com
Address XiXisys.com
Telephone XiXisys.com
Fax XiXisys.com

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

Acute toxicity - Dermal, Category 3

Acute toxicity - Inhalation, Category 2

Specific target organ toxicity \u2013 repeated exposure, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

H311 Toxic in contact with skin

H330 Fatal if inhaled

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P284 [In case of inadequate ventilation] wear respiratory protection.

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

P302+P352 IF ON SKIN: Wash with plenty of water/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P361+P364 Take off immediately all contaminated clothing and wash it before reuse.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P310 Immediately call a POISON CENTER/doctor/\u2026

P320 Specific treatment is urgent (see ... on this label).

P314 Get medical advice/attention if you feel unwell.

Storage

P405 Store locked up.

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
Vitamin D2 Vitamin D2 50-14-6 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.

In case of skin contact

Wash off with soap and plenty of water. Consult a physician.

In case of eye contact

Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.

If swallowed

Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

4.2 Most important symptoms/effects, acute and delayed

Ergocalciferol poisoning disturbs calcium metabolism and causes kidney damage. Ergocalciferol in a single acute ingestion presents no toxic hazards. Daily ingestion in excess of 5000 units/day in children or 7500 units/day in adults will produce toxic symptoms associated with hypervitaminosis D. Those with hypercalcemia are at a greater risk. (EPA, 1998)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Emergency and supportive measures: Treat fluid loses caused by gastroenteritis with intravenous crystalloid solutions. Treat vitamin ... D induced hypercalcemia if /it/ occurs.

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

(Non-Specific -- Medicines, n.o.s.) Move container from fire area if you can do so without risk. Spray cooling water on containers that are exposed to flames until well after fire is out. (Non-Specific -- Medicines, n.o.s.) Extinguish with dry chemical, carbon dioxide, water spray, fog, or foam. (EPA, 1998)

5.2 Specific hazards arising from the chemical

Shows signs of decomposition when stored for a few days at room temperature. (EPA, 1998)

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided.

6.3 Methods and materials for containment and cleaning up

Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Ergocalciferol capsules, oral solution, and tablets should be stored in tight, light-resistant containers at a temperature less than 40\u00b0C, preferably between 15-30\u00b0C.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

no data available

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state odorless white crystals
Colour Prisms from acetone
Odour Odorless
Melting point/ freezing point 208\u00b0C(lit.)
Boiling point or initial boiling point and boiling range 111\u00b0C
Flammability no data available
Lower and upper explosion limit / flammability limit no data available
Flash point 8\u00b0C(lit.)
Auto-ignition temperature no data available
Decomposition temperature no data available
pH no data available
Kinematic viscosity no data available
Solubility no data available
Partition coefficient n-octanol/water (log value) no data available
Vapour pressure no data available
Density and/or relative density 0.97 g/cm3
Relative vapour density no data available
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Deterioration of pure crystal is negligible after storage of /9 mo/ in amber evacuated ampuls at refrigerator temperature. /Vitamin D3/

10.3 Possibility of hazardous reactions

Flammable and/or toxic gases are generated by the combination of alcohols with alkali metals, nitrides, and strong reducing agents. They react with oxoacids and carboxylic acids to form esters plus water. Oxidizing agents convert them to aldehydes or ketones. Alcohols exhibit both weak acid and weak base behavior. They may initiate the polymerization of isocyanates and epoxides.

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

no data available

10.6 Hazardous decomposition products

no data available

11.Toxicological information

Acute toxicity

  • Oral: no data available
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

no data available

Reproductive toxicity

no data available

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: no data available
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

no data available

12.3 Bioaccumulative potential

no data available

12.4 Mobility in soil

no data available

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN2811 IMDG: UN2811 IATA: UN2811

14.2 UN Proper Shipping Name

ADR/RID: TOXIC SOLID, ORGANIC, N.O.S.
IMDG: TOXIC SOLID, ORGANIC, N.O.S.
IATA: TOXIC SOLID, ORGANIC, N.O.S.

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
Vitamin D2 Vitamin D2 50-14-6 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Not Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 11, 2017
Revision Date Aug 11, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

Precursor and Product
Computational chemical data

Molecular Weight:396.64836 [g/mol]
Molecular Formula:C28H44O
XLogP3-AA:7.4
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:5
Exact Mass:396.339216
MonoIsotopic Mass:396.339216
Topological Polar Surface Area:20.2
Heavy Atom Count:29
Formal Charge:0
Complexity:678
Isotope Atom Count:0
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:3
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:3
Feature 3D Ring Count:3
Effective Rotor Count:7
Conformer Sampling RMSD:0.8
CID Conformer Count:20

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