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| | alpha-iso-Methylionone Basic information |
| Product Name: | alpha-iso-Methylionone | | Synonyms: | (3E)-3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one;3-methyl-4-(2,6,6;3-Methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl);8-Methyl-alpha-ionone;alpha-Ionone, isomethyl-;iso-alpha-methyl ionone;Methyl-alpha-isoionone;3-Methyl-4-(2,6,6-trimethyl-2-cyclohexenyl)-3-butene-2-one | | CAS: | 127-51-5 | | MF: | C14H22O | | MW: | 206.32 | | EINECS: | 204-846-3 | | Product Categories: | | | Mol File: | 127-51-5.mol |  |
| | alpha-iso-Methylionone Chemical Properties |
| Boiling point | 121-122℃ (9 Torr) | | density | 0.93 g/mL at 20 °C(lit.) | | vapor pressure | 0.22Pa at 20℃ | | FEMA | 2714 | ALPHA-ISO-METHYLIONONE | | refractive index | 1.50188 (589.3 nm 20℃) | | storage temp. | Sealed in dry,Room Temperature | | solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) | | form | liquid | | color | Light orange to Yellow to Green | | Odor | at 10.00 % in dipropylene glycol. woody violet floral | | Odor Type | floral | | Water Solubility | 27.953mg/L at 25℃ | | JECFA Number | 404 | | Stability: | Light Sensitive | | Major Application | cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care | | Cosmetics Ingredients Functions | FRAGRANCE
PERFUMING
SKIN CONDITIONING | | InChI | 1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+ | | InChIKey | JRJBVWJSTHECJK-PKNBQFBNSA-N | | SMILES | CC(=O)C(\C)=C\C1C(C)=CCCC1(C)C | | LogP | 4.288 at 25℃ | | EPA Substance Registry System | 3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- (127-51-5) |
| Hazard Codes | Xi | | Risk Statements | 43 | | Safety Statements | 24/25-36/37 | | RIDADR | UN1230 - class 3 - PG 2 - Methanol, solution | | WGK Germany | 2 | | TSCA | TSCA listed | | HS Code | 2914.23.0000 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Aquatic Chronic 2 |
| | alpha-iso-Methylionone Usage And Synthesis |
| Description | α-Isomethylionone has a fine violet and orris-like odor. This substance may be synthesized by condensation of citral with methyl
ethyl ketone controlling the ratio between the n- and iso-forms;
the methyl pseudo-ionone obtained is then subjected to ring closure, using strong alkali and high temperature (thus favoring the
formation of the normal α- and β-methylionones) or with quaternary ammonium base (thus favoring the formation of wo-forms);
See also monographs of α- and β-ionone and methyl α-, β-, and
γ-ionones. | | Chemical Properties | α-Isomethylionone has a fine violet and orris-like odor. | | Uses | ALPHA-ISO-METHYLIONONE is widely used in the formulation of daily chemical and food flavorings. GB 2760-1996 stipulates that it is a permitted food flavoring, mainly used in the formulation of raspberry and other types of flavorings. | | Definition | ChEBI: 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one is a sesquiterpenoid. | | Preparation | By condensation of citral with methyl ethyl ketone controlling the ratio between the n- and iso-forms; the methyl pseudoionone obtained is then subjected to ring closure, using strong alkali and high temperature (thus favoring the formation of iso-forms);
See also monographs of α-, β-, and γ-ionones. | | Flammability and Explosibility | Not classified | | Contact allergens | As a fragrance allergen, a-isomethylionone has to be
mentioned by name in cosmetics within the EU. |
| | alpha-iso-Methylionone Preparation Products And Raw materials |
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