127-41-3
Product Name:
alpha-Ionone
Formula:
C13H20O
Synonyms:
4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-one;alpha-Ionone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Dry Powder, Liquid; Liquid |
|---|---|
| Color/Form | Colorless to slightly yellow liquid |
| Odor | It has a warm, woody, floral odor with balsamic and sweet tones and is strongly reminiscent of violet flowers. |
| Taste | Woody, floral, berry, fruity with powdery nuances |
| Boiling Point | 258 °C at 760 mm Hg |
| Flash Point | 118 °C (244 °F) - closed cup |
| Solubility | In water, 106 mg/L at 25 °C |
| Density | 0.9319 at 20/4 °C |
| Vapor Pressure | 0.019 mm Hg at 25 C (extrapolated from higher temperatures) |
| LogP | log Kow = 3.85 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Refractive Index | Index of refraction: 1.4982 at 20 °C |
| Kovats Retention Index | 1413 1417 1410 1405 1401 1401 1428 1434 1416 1408 1413 1418 1420 1414.9 1416 1416 1410 1412 1419 1408 1445 1405 1402 1413 1416 1416 1407 1408 1399 1417 1400 1404 1404 1407 1407 1411 1414 1407 1407 1416 1403 1423.6 1423.6 1424 1424.3 |
| Other Experimental Properties | Both optical isomers of alpha-ionone are found in nature. Generally, ionones have a trans configuration. trans-alpha-Ionone can be converted into the cis-isomer by exposure to ultraviolet light. |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H334:Sensitisation, respiratory |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P342+P311:IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
| Molecular Weight | 192.30 g/mol |
|---|---|
| XLogP3 | 3 |
| 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 | 282 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Alpha-ionone is an ionone, an enone and a methyl ketone.