517-89-5
Product Name:
Shikonin
Formula:
C16H16O5
Synonyms:
Isoarnebin 4;Shikonin S;Tokyo Violet;(±)-5,8-Dihydroxy-2-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthoquinone;(±)-Alkannin
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | White or slightly yellow crystalline powder |
|---|---|
| Melting Point | 147 °C |
| Solubility | Practically insoluble in aqueous solutions |
| Density | 1.373 g/cu cm |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P337+P313:IF eye irritation persists: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 288.29 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 288.09977361 g/mol |
| Monoisotopic Mass | 288.09977361 g/mol |
| Topological Polar Surface Area | 94.8 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 501 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Shikonin is a hydroxy-1,4-naphthoquinone.