alpha-Ionone CAS 127-41-3
Introduction：Basic information about alpha-Ionone CAS 127-41-3, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
alpha-Ionone Basic informationDescription References
| Product Name: | alpha-Ionone |
| Synonyms: | (±)-4-trans-(2,6,6-trimethyl-cyclohex-2-enyl)-but-3-en-2-one;(3E)-4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-buten-2-one;(E)-alpha-Ionone;(E)-α-Ionone;(R,S)-3-(E)-Buten-2-one,4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-;4-(2,6,6-;ALPHA-CYCLOCITRYLIDENEACETONE;ALPHA-IONONE |
| CAS: | 127-41-3 |
| MF: | C13H20O |
| MW: | 192.3 |
| EINECS: | 204-841-6 |
| Product Categories: | Biochemistry;Monocyclic Monoterpenes;Terpenes;Building Blocks;C13 to C14;Carbonyl Compounds;Chemical Synthesis;Citrus aurantium (Seville orange);Ginkgo biloba;Ketones;Nutrition Research;Organic Building Blocks;Phytochemicals by Plant (Food/Spice/Herb);Intermediates & Fine Chemicals;Pharmaceuticals |
| Mol File: | 127-41-3.mol |
alpha-Ionone Chemical Properties
| Melting point | 25°C |
| Boiling point | 259-263 °C(lit.) |
| density | 0.93 g/mL at 25 °C(lit.) |
| vapor pressure | 0.133Pa |
| refractive index | n |
| FEMA | 2594 | ALPHA-IONONE |
| Fp | 230 °F |
| storage temp. | 2-8°C |
| solubility | Soluble in ethanol fixed oils, propylene glycol. Slightly soluble in alcohol, ether, mineral oil. |
| form | Oil |
| color | Clear Colourless |
| Odor | at 10.00 % in dipropylene glycol. sweet woody floral violet orris tropical fruity |
| Odor Type | floral |
| biological source | synthetic |
| Water Solubility | insoluble |
| Merck | 14,5056 |
| JECFA Number | 388 |
| BRN | 2046084 |
| Dielectric constant | 11.0（18℃） |
| Major Application | cleaning products cosmetics flavors and fragrances food and beverages personal care |
| Cosmetics Ingredients Functions | PERFUMING |
| InChI | 1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+ |
| InChIKey | UZFLPKAIBPNNCA-BQYQJAHWSA-N |
| SMILES | CC(=O)\C=C\C1C(C)=CCCC1(C)C |
| LogP | 3.85 at 37℃ |
| CAS DataBase Reference | 127-41-3(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Buten-2-one, 4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-(127-41-3) |
| EPA Substance Registry System | .alpha.-Ionone (127-41-3) |
Safety Information
| Hazard Codes | Xn,Xi |
| Risk Statements | 42-36-36/37/38 |
| Safety Statements | 36-24/25-26-36/37/39-27 |
| WGK Germany | 2 |
| RTECS | EN0525000 |
| TSCA | TSCA listed |
| HS Code | 29142300 |
| Storage Class | 10 - Combustible liquids |
| Hazard Classifications | Resp. Sens. 1 |
| Hazardous Substances Data | 127-41-3(Hazardous Substances Data) |
| Description | The alpha-ionone is the alpha form of ionone. The ionones denote a series of chemical substances belonging to rose ketones including carotene, damascenes and damascenones. It is found in various kinds of essential oils contained in some flowers such as violet. Ionone has three forms including alpha-, beta and gamma-. The alpha-ionone has the aroma odor of violet, which has been widely used in daily chemical flavor and tobacco-used flavor. The alpha-ionone can be made from the thermal decomposition of carotene. |
| References | Davis, Daniel L., Kenneth L. Stevens, and Leonard Jurd. "Chemistry of tobacco constituents. Oxidation of. alpha.-ionone and the acid-catalyzed rearrangement of 5-keto-. alpha.-ionone." Journal of agricultural and food chemistry 24.1 (1976): 187-189. Fukuda, Kazuyuki C/O Kao Corporation. "PERFUME COMPOSITION." (2014). Laroe, Earl G., and P. A. Shipley. "Whiskey composition:, formation of alpha-and beta-ionone by the thermal decomposition of beta-carotene."Journal of Agricultural & Food Chemistry 18.1(2002):1013-1017. |
| Description | α-Ionone has a characteristic violet-like odor. α-Ionone may beprepared by condensing citral with acetone to form pseudoionone, which is then cyclized by acid-type reagents. |
| Chemical Properties | α-Ionone has a warm, woody, berry characteristic violet-like odor. The composition of commercial ionones varieswidely in the proportion of α- and β-isomers; the specifications given below refer to the best grade of α- and β-ionones and to a commercial grade that contains both α- and β-ionones. |
| Chemical Properties | clear yellow liquid |
| Uses | An aroma compound commonly found in essential oils such as rose oil. It is a degradation products of caratenoids produced by caratenoid cleavage dioxygenases (CCD). |
| Uses | alpha-Ionone, is used in many floral accords. Gives a violet flower nuance to compositions, but is also used in rose, woody, amber, balsamic, and powdery fragrances. It is also used in perfumery, flavoring, and vitamin A (retinol) production for cosmetics and toiletries. beta isomer shows a less floral odor than the alpha. It has good substantivity and is used in all areas of perfumery. |
| Definition | ChEBI: Alpha-ionone is an ionone, an enone and a methyl ketone. |
| General Description | α-lonone is a C13 norterpenoid formed from the degradation of carotenoids. It is an important fragrance compound used in perfume industries due to its characteristic fine violet and rose scents. Commercially α-lonone is used in cosmetics, personal care products, detergents, etc. As a flavoring agent, it is widely used in various beverages including wine and tea. |
| Flammability and Explosibility | Not classified |
| Purification Methods | Purify α-ionone through a spinning band fractionating column. The semicarbazone has m 157-157.5o (from EtOH) and [] D +433o (c 4, |
alpha-Ionone Preparation Products And Raw materials
| Raw materials | Sodium hydroxide-->Citral-->Litsea cubeba oil-->PSEUDOIONONE |
| Preparation Products | Ionone-->Carotene |
