CHEMICAL AND PHYSICAL PROPERTIES
| Kovats Retention Index | 1606 1627 1611 1610 1616 1606 1613 1618 1620 1619 1592 |
|---|
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin H372:Specific target organ toxicity, repeated exposure H401:Hazardous to the aquatic environment, acute hazard H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P272:Contaminated work clothing should not be allowed out of the workplace. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P321:Specific treatment (see … on this label). P362:Take off contaminated clothing and wash before reuse. P363:Wash contaminated clothing before reuse. P391:Collect spillage. Hazardous to the aquatic environment P302+P352:IF ON SKIN: wash with plenty of soap and water. P332+P313:IF SKIN irritation occurs: Get medical advice/attention. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 220.35 g/mol |
|---|---|
| XLogP3 | 4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 220.182715385 g/mol |
| Monoisotopic Mass | 220.182715385 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 352 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Isolongifolanone is a natural product found in Artemisia annua with data available.