35044-68-9
Product Name:
Beta-Damascone
Formula:
C13H20O
Synonyms:
1-(2,6,6-Trimethyl-1-cyclohexenyl)-2-buten-1-one;1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one;2,6,6-Trimethyl-1-crotonyl-2-cyclohexene
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | colourless to pale yellow liquid with a complex fruity floral odour |
|---|---|
| Solubility | 1 ml in 10 ml 95% (in ethanol) |
| Density | 0.934-0.942 (20°) |
| Refractive Index | 1.496-1.501 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H317:Sensitisation, Skin 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. P302+P352:IF ON SKIN: wash with plenty of soap and water. |
COMPUTED DESCRIPTORS
| Molecular Weight | 192.30 g/mol |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 192.151415257 g/mol |
| Monoisotopic Mass | 192.151415257 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 292 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2Z)- is a natural product found in Scutellaria baicalensis and Baccharis dracunculifolia with data available.