Peroxyhemiacetal Profragrant Compounds for Stimuli-Responsive Aldehyde Release

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Solution Overview

Problem

The flavors and fragrance industry seeks a precursor compound that can release flavors and fragrances in response to various stimuli such as light, water, air, heat, pH, and oxidation, but existing solutions are limited in their ability to effectively control and enhance odoriferous and aromatic properties over time.

Innovation Solution

The use of peroxyhemiacetal compounds, specifically those of Formula I, which include terpene hydroperoxyl groups and alkyl groups, to release aldehydes like decanal, octanal, and acetaldehyde in aqueous solutions, enhancing the delivery of fragrances and flavors by dissociating in response to environmental changes.

Engineering Contradictions & Design Principles

VSEngineering Contradiction Analysis

1Adaptability or versatility

If existing precursor compounds (acetal, ketal) are used to release flavors and fragrances, then the release can be controlled to some extent, but the ability to respond to multiple stimuli (light, water, air, heat, pH, oxidation) is limited

Engineering Contradiction:
Improveresponse to multiple stimuliVSAvoidcontrolled release capability
Core Design Contradiction:
Adaptability or versatilityVSReliability

Solution Approach 1:

The invention combines a terpene hydroperoxide component with an aldehyde component to create a composite pro-fragrance compound (peroxyhemiacetal). This composite structure enables the molecule to respond to multiple stimuli including oxidation, heat, and pH changes, while maintaining controlled release of the aldehyde fragrance. The synergistic interaction between the hydroperoxide and aldehyde moieties provides both multi-stimuli responsiveness and reliable controlled release.

Inventive Principle:
Principle #40Composite materials

Solution Approach 2:

The invention utilizes changes in physical and chemical parameters (temperature, pH, oxidation state) to trigger controlled release of the fragrance. The peroxyhemiacetal compound undergoes decomposition or rearrangement when exposed to these parameter changes, converting the stored chemical energy into fragrance release. This allows the system to respond adaptively to environmental conditions while maintaining controlled release through the specific reaction kinetics of the hydroperoxide-aldehyde adduct.

Inventive Principle:
Principle #35Parameter changes

2Duration of action of moving object

If pro-fragrance compounds are designed to release flavors and fragrances over time, then the duration of action is extended, but the intensity and effectiveness of odoriferous and aromatic properties may be reduced

Engineering Contradiction:
Improverelease durationVSAvoidodoriferous effectiveness
Core Design Contradiction:
Duration of action of moving objectVSObject-generated harmful factors

Solution Approach 1:

The peroxyhemiacetal compound provides periodic fragrance release through its decomposition kinetics. As the compound gradually breaks down over time through oxidation, heat, or pH-triggered reactions, it releases aldehyde molecules in a sustained manner. This periodic release mechanism maintains both extended duration and effective intensity, as the decomposition continuously generates fresh fragrance molecules rather than depleting a static reservoir.

Inventive Principle:
Principle #19Periodic action

Solution Approach 2:

The pro-fragrance compound is self-activating through its inherent chemical instability. The terpene hydroperoxide-aldehyde adduct spontaneously decomposes or rearranges under ambient conditions (oxidation, moisture, heat), eliminating the need for external activation systems. This self-service mechanism ensures both extended duration through gradual decomposition and maintained effectiveness through continuous generation of active fragrance molecules.

Inventive Principle:
Principle #25Self-service

3Stability of the object's composition

If precursor compounds are used to deliver aldehydes, then the stability of the composition is improved, but the complexity of controlling release in response to various environmental conditions increases

Engineering Contradiction:
Improvecomposition stabilityVSAvoidrelease control mechanism
Core Design Contradiction:
Stability of the object's compositionVSDevice complexity

Solution Approach 1:

The invention extracts the reactive parts (aldehyde and hydroperoxide) into a stable adduct form (peroxyhemiacetal). By combining these reactive components into a single stable precursor molecule, the system achieves composition stability during storage and transport. The controlled release is then achieved through the spontaneous decomposition of this stable adduct, eliminating the need for complex external control mechanisms while maintaining responsiveness to environmental stimuli.

Inventive Principle:
Principle #2Taking out (Extraction)

Applied Scientific Principles

This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.

Function Achieved in This Case

The peroxyhemiacetal compounds effectively release aldehydes over time, enhancing the odoriferous and aromatic properties of perfuming and flavoring compositions, as demonstrated by headspace gas chromatography-mass spectrometry, suitable for applications in laundry detergents, beverages, and confectionary products.

Implementation Method 1

the claimed peroxyhemiacetals can dissociate to release an aldehyde in polar or aqueous media

Methodology Applied
Scientific EffectHydrolysis: Hydrolysis

Data Source

PatentEP3365326B1Peroxyhemiacetal profragrant and proflavor compounds
Publication Date: 2019.12.11 FIRMENICH SA
  • EP3365326B1 patent drawingFigure 1~2
  • EP3365326B1 patent drawingFigure 3~4
  • EP3365326B1 patent drawing

AI summary

Provided herein is a compound of Formula (I), wherein R represents a terpene hydroperoxyl selected from the group consisting of (AA), (BB), (CC), (DD), wherein R' represents a alkyl group selected from the group consisting: CH3(CH2)8-, CH3(CH2)6-, and CH3-.