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Isomethyl-α-ionone

Isomethyl-α-ionone structure

CAS No:
127-51-5
Formula:
C14H22O
Chemical Name:
Isomethyl-α-ionone
Synonyms:
3-Buten-2-one,3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-;3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one;α-Cetone;4-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-3-methyl-3-buten-2-one;α-Ionone,isomethyl-;Isomethyl-α-ionone;Cetone Alpha;NSC 66432
Categories:
Cosmetic Ingredient > Perfuming

Description

α-Isomethylionone has a fine violet and orris-like odor.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 w

Liquid

Isomethyl-α-ionone Basic Attributes

Molecular Weight：

206.32

Exact Mass：

206.32

EC Number：

204-846-3

HScode：

2914299000

Characteristics

PSA：

17.1

XLogP3：

4.41

Appearance：

Liquid

Density：

0.9345 g/cm³ @ Temp: 20 °C

Boiling Point：

121-122 °C @ Press: 9 Torr

Flash Point：

122.1±17.5 °C

Refractive Index：

1.50188 (589.3 nm 20℃)

Storage Conditions：

room temp

Vapor Pressure：

0.00282mmHg at 25°C

Safety Information

Transport codes：

UN1230 - class 3 - PG 2 - Methanol, solution

wgk germany：

hazard class code：

safety instructions：

24/25-36/37

Marks：

Precautionary statement(s)：

P273-P280-P333 + P313

Hazard Statements：

H317-H412

GHS Classification：

|Warning|H315: Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501

Isomethyl-α-ionone Use and Manufacturing

Methods of Manufacturing

It is formed by condensation of citral and methyl ethyl ketone into methyl pseudoionone, which is then cyclized under strong alkali and high temperature.

Uses

Widely used in the preparation of daily chemicals and edible flavors

Fragrance Ingredients

Air care products

Production

100,000 - 500,000 lb

Manufacturing Info：

All other chemical product and preparation manufacturing|3-Buten-2-one, 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-: ACTIVE

Computed Properties

Molecular Weight:206.32
XLogP3:3.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:206.167065321
Monoisotopic Mass:206.167065321
Topological Polar Surface Area:17.1
Heavy Atom Count:15
Complexity:318
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Drug Function and Efficacy

Fragrance, Possible Allergen

This ingredient has been used in drugs with the following functions (note: it does not mean that the ingredient itself has the following health functions)

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Guide of Isomethyl-α-ionone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Drug Function and Efficacy
Related Drugs
Recommended Suppliers
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Isomethyl-α-ionone

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