Tertiary Alkanol Ethers Esters Aroma Chemicals
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Solution Overview
Problem
There is a continuous need for new aroma chemicals with pleasant organoleptic properties that can be used in ready-to-use compositions, offering novel sensory profiles and being obtainable from readily available starting materials while avoiding toxicological concerns.
Innovation Solution
The use of specific ethers or esters of tertiary alkanols, or mixtures thereof, or their stereoisomers, which possess advantageous organoleptic properties, such as a pleasant odor, and can be combined with other aroma chemicals to create novel sensory profiles.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Reliability
If natural fragrances are used, then pleasant organoleptic properties are achieved, but high cost and limited availability occur
Solution Approach 1:
The patent creates synthetic aroma chemicals that replicate the sensory properties of natural fragrances. Specifically, compounds of formula (I) are designed to mimic the pleasant organoleptic characteristics of natural materials while being produced synthetically from readily available starting materials, thereby copying the desirable sensory effects without the limitations of natural source availability
Solution Approach 2:
The patent modifies chemical structures by systematically varying parameters such as the alkyl groups R1-R6 in formula (I) to create novel compounds with desired sensory properties. By changing molecular parameters (carbon chain length, branching, functional groups), the invention achieves pleasant organoleptic profiles while ensuring scalability and availability through synthetic production
2Quantity of substance
If synthetic aroma chemicals are developed, then availability and cost are improved, but difficulty in finding substances with desired sensory properties occurs
Solution Approach 1:
The patent employs preliminary structure-odor relationship analysis and computational methods to predict sensory properties before synthesis. By pre-screening candidate compounds of formula (I) based on their molecular structure and predicted olfactory characteristics, the invention identifies promising aroma chemicals with desired sensory profiles before actual production, reducing the difficulty of finding suitable substances
Solution Approach 2:
The patent uses structure-odor relationship models and sensory evaluation protocols as intermediaries between chemical structure and perceived aroma properties. These intermediary tools bridge the gap between molecular parameters (R1-R6 groups) and sensory outcomes, enabling systematic identification of compounds with desired organoleptic characteristics
3Adaptability or versatility
If new aroma chemicals are synthesized, then novel sensory profiles are achieved, but complexity of synthesis increases
Solution Approach 1:
The patent divides the molecular structure into discrete, independently variable segments (R1, R2, R3, R4, R5, R6 groups in formula (I)). Each substituent can be modified separately to achieve desired sensory profiles without requiring complete resynthesis of the core structure, thereby reducing synthesis complexity while maintaining versatility
Solution Approach 2:
The patent creates a universal core structure (the tertiary alkanol framework with specific substitution patterns) that can serve multiple fragrance applications. By maintaining a common structural backbone and varying only the peripheral R groups, the invention achieves novel sensory profiles across different applications without increasing overall synthesis complexity
4Reliability
If aromatic compounds with intense odor are developed, then sensory impact is improved, but toxicological concerns may increase
Solution Approach 1:
The patent optimizes molecular parameters (such as the specific configuration of R1-R6 groups and the presence of ester or ether functional groups) to achieve intense pleasant odors while maintaining toxicological safety. By carefully selecting parameter ranges that correlate with both high sensory impact and low toxicity, the invention resolves this contradiction
Solution Approach 2:
The patent uses the presence of oxygen-containing functional groups (esters and ethers) which naturally reduce toxicity compared to pure hydrocarbons, while still providing intense aromatic properties. The functional groups that might be considered structural complexity actually serve as safety features, converting potential harm into benefit by enhancing both sensory impact and toxicological safety
Data Source
AI summary
The present invention relates to the use of an ether or an ester of a tertiary alkanol or of mixtures of two or more ethers or esters of tertiary alkanols or of a stereoisomer thereof or of a mixture of two or more stereoisomers thereof as aromachemicals; to the use thereof for modifying the scent character of a fragranced composition; to an aroma chemical composition containing an ether or an ester of tertiary alkanol or of mixtures of two or more ethers or esters of tertiary alkanols or of a stereoisomer thereof or of a mixture of two or more stereoisomers thereof; and to a method of preparing a fragranced composition or for modifying the scent character of a fragranced composition. The invention further relates to specific ethers or esters of tertiary alkanols.