ALPHA-ISO-METHYLIONONE

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-trimethyl-2-cyclohexen-1-yl)-3-buten-2-on;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
CAS:127-51-5
MF:C14H22O
MW:206.32
EINECS:204-846-3
Product Categories:
Mol File:127-51-5.mol
ALPHA-ISO-METHYLIONONE Structure
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
Odorat 10.00 % in dipropylene glycol. woody violet floral
Odor Typefloral
Water Solubility 27.953mg/L at 25℃
JECFA Number404
Stability:Light Sensitive
LogP4.288 at 25℃
EPA Substance Registry System3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)- (127-51-5)
Safety Information
Hazard Codes Xi
Risk Statements 43
Safety Statements 24/25-36/37
RIDADR UN1230 - class 3 - PG 2 - Methanol, solution
WGK Germany 2
HS Code 2914.23.0000
MSDS Information
ProviderLanguage
SigmaAldrich English
ALPHA-ISO-METHYLIONONE Usage And Synthesis
Descriptionα-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 Propertiesα-Isomethylionone has a fine violet and orris-like odor.
PreparationBy 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.
DefinitionChEBI: 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one is a sesquiterpenoid.
Flammability and ExplosibilityNotclassified
Contact allergensAs a fragrance allergen, a-isomethylionone has to be mentioned by name in cosmetics within the EU.
ALPHA-ISO-METHYLIONONE Preparation Products And Raw materials
Raw materialsCitral-->PSEUDOIONONE
Preparation ProductsTabanone
Sorbic acid Hexyl salicylate (E,E)-Farnesol Isolongifolone DL-Menthol METHYL IONONE GAMMA 6 METHYL 3 HEPTEN 2 ONE alpha-Ionone 3-METHYL-3-HEPTEN-2-ONE 3-Methyl-3-buten-2-one 1,7-Octadiene ALPHA-ISO-METHYLIONONE 3,5-DIMETHYL-3-HEPTENE TRANS,TRANS-2,8-DECADIENE METHYL IONONE GAMMA EXTRA METHYL IONONE GAMMA REPLACER METHYL IONONE GAMMA,ALPHA-ISO-METHYLIONONE Ionone

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