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

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)

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

• Language:English Provider:SigmaAldrich

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.

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.

Definition

ChEBI: 3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one is a sesquiterpenoid.

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(127-51-5)Related Product Information

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