CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1081 1088 1096 1083 1093 1104 1115 |
|---|
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05 |
| GHS Hazard Statements |
H314:Skin corrosion/irritation |
| Precautionary Statement Codes |
P260:Do not breathe dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
COMPUTED DESCRIPTORS
| Molecular Weight | 126.20 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 126.104465066 g/mol |
| Monoisotopic Mass | 126.104465066 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 86.7 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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
Cyclooctanone is a natural product found in Zanthoxylum schinifolium and Ceratophyllum demersum with data available.