| Identification | More | [Name]
alpha-Ionone | [CAS]
127-41-3 | [Synonyms]
3-BUTEN-2-ONE, 4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)
4-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE
A-CYCLOCITRYLIDENEACETONE
ALPHA-CYCLOCITRYLIDENEACETONE
ALPHA-IONONE
ALPHA-JONONE
FEMA 2594
FERMENTA BERRY
IONONE
IRISONE ALPHA
(±)-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-
4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-,(E)-3-Buten-2-one
4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one (alpha-ionone)
4-(2,6,6-trimethylcyclohex-2
4-(2,6,6-trimethylcyclohex-2-ene-1-yl)-but-3-ene-2-one | [EINECS(EC#)]
204-841-6 | [Molecular Formula]
C13H20O | [MDL Number]
MFCD00001565 | [Molecular Weight]
192.3 | [MOL File]
127-41-3.mol |
| Chemical Properties | Back Directory | [Appearance]
clear yellow liquid | [Melting point ]
25°C | [Boiling point ]
259-263 °C(lit.) | [density ]
0.93 g/mL at 25 °C(lit.)
| [vapor pressure ]
0.133Pa | [FEMA ]
2594 | [refractive index ]
n20/D 1.498(lit.)
| [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 | [Water Solubility ]
insoluble | [JECFA Number]
388 | [Merck ]
14,5056 | [BRN ]
2046084 | [Dielectric constant]
11.0（18℃） | [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]
127-41-3(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R42:May cause sensitization by inhalation.
R36:Irritating to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S27:Take off immediately all contaminated clothing . | [WGK Germany ]
2
| [RTECS ]
EN0525000
| [TSCA ]
Yes | [HS Code ]
29142300 | [Hazardous Substances Data]
127-41-3(Hazardous Substances Data) |
| Questions And Answer | Back Directory | [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.
|
| Hazard Information | Back Directory | [Chemical Properties]
clear yellow liquid | [Chemical Properties]
α-Ionone has a warm, woody, berry characteristic violet-like odor. The composition of commercial ionones varies
widely 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.
| [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. | [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). | [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]
Notclassified | [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, |
|
|