23696-85-7
Product Name:
Damascenone
Formula:
C13H18O
Synonyms:
β-Damascenone;1-(2,6,6-Trimethylcyclohexa-1,3-dien-1-yl)-2-buten-1-one
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | pale yellow to yellow liquid with a floral, fruity odour |
|---|---|
| Boiling Point | 274.00 to 276.00 °C. @ 760.00 mm Hg |
| Solubility | 1 ml in 10 ml 95% alcohol (in ethanol) |
| Density | 0.945-0.952 (20°) |
| Refractive Index | 1.508-1.514 |
| Kovats Retention Index | 1362.1 1362.1 1361 1362 1394 1362 1357 1369 1362 1373 1356 1356 1358 1359 1359 1360 1360 1360 1364 1364 1368 1368 1385 1374 1354 1354 1366 1371 1375 1377 1368 1368 1358 1373 1367 1367 1368 1368 1369 1368 1364 1361 1369 1369 1371 1351 1360 1361 1361 1358 1363 1372 1363 1372 1372 1356 1349 1369 1357 1356 1356 1352 1353 1356 1360 1360 1360 1360 1360 1367 1360 1360 1476 |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H225:Flammable liquids H317:Sensitisation, Skin H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P240:Ground/bond container and receiving equipment. 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. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 190.28 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 190.135765193 g/mol |
| Monoisotopic Mass | 190.135765193 g/mol |
| Topological Polar Surface Area | 17.1 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 327 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Beta-damascenone is a cyclic monoterpene ketone that is 2,6,6-trimethylcyclohexa-1,3-diene substituted at position 1 by a crotonoyl group. It has a role as a fragrance, a volatile oil component and a plant metabolite. It is an enone, an apo carotenoid monoterpenoid and a cyclic monoterpene ketone.