50-14-6
Product Name:
Vitamin D2
Formula:
C28H44O
Synonyms:
Ergocalciferol;Calciferol;Ercalciol;Ergosterol irradiated;Irradiated ergosterol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Ergocalciferol appears as odorless white crystals. Used as a dietary supplement and food additive. (EPA, 1998) |
|---|---|
| Color/Form | Prisms from acetone |
| Odor | Odorless |
| Taste | Medications associated with a metallic or bitter taste include ... vitamin D. |
| Boiling Point | Decomposes |
| Melting Point | 239 to 244 °F (EPA, 1998) |
| Solubility | Insoluble |
| LogP | 8.89 |
| Stability/Shelf Life | Deterioration of pure crystal is negligible after storage of /9 mo/ in amber evacuated ampuls at refrigerator temperature. /Vitamin D3/ |
| Optical Rotation | Specific optical rotation: +82.6 @ 25 °C/D (c= 3 in acetone); +102.5 @ 20 °C/D (alcohol); specific optical rotation: +52 @ 20 °C/D (chloroform); UV max absorption (hexane): 264.5 nm (e= 458.9 +/- 7.5, 1%, 1 cm) |
| Dissociation Constants | 6.35 |
| Collision Cross Section | 202.4 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Other Experimental Properties | Stable in alkaline media. Unstable to light and air, and in acidic media. |
| Chemical Classes | Biological Agents -> Vitamins and Derivatives |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Health Hazard GHS08 |
| GHS Hazard Statements |
H330:Acute toxicity,inhalation H372:Specific target organ toxicity, repeated exposure |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P314:Get medical advice/attention if you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 396.6 g/mol |
|---|---|
| XLogP3 | 7.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 5 |
| Exact Mass | 396.339216023 g/mol |
| Monoisotopic Mass | 396.339216023 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| 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 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Ergocalciferol appears as odorless white crystals. Used as a dietary supplement and food additive. (EPA, 1998)