Practical analysis of flavor and fragrance materials / edited by Kevin Goodner and Russell Rouseff.

Enhanced descriptions from Syndetics:

Modern flavours and fragrances are complex formulated products containing blends of aroma compounds with auxiliary materials, enabling desirable flavours or fragrances to be added to a huge range of products. The flavour and fragrance industry is a key part of the worldwide specialty chemicals industry, yet most technical recruits have minimal exposure to flavours and fragrances before recruitment. The analytical chemistry of flavour and fragrance materials presents specific challenges to the analytical chemist, as most of the chemicals involved are highly volatile, present in very small amounts and in complex mixtures.

Analytical Methods for Flavor and Fragrance Materials covers the most important methods in the analysis of flavour and fragrance materials, including traditional and newly emerging methodologies. It discusses the capabilities of the various analytical methods for flavour and fragrance analysis and guides the newcomer to the most appropriate techniques for specific analytical problems.

Table of contents provided by Syndetics

• Preface (p. xiii)
• About the Editors (p. xvii)
• List of Contributors (p. xix)
• 1 Overview of Flavor and Fragrance Materials (p. 1)
• 1.1 Flavor Aroma Chemicals (p. 1)
• 1.1.1 Nature Identical (p. 1)
• 1.1.1.1 Alcohols (p. 2)
• 1.1.1.2 Acids (p. 3)
• 1.1.1.3 Esters (p. 4)
• 1.1.1.4 Lactones (p. 5)
• 1.1.1.5 Aldehydes (p. 5)
• 1.1.1.6 Ketones (p. 6)
• 1.1.2 Heterocycles (p. 6)
• 1.1.2.1 Oxygen-containing (p. 6)
• 1.1.2.2 Nitrogen-containing (p. 7)
• 1.1.2.3 Sulfur-containing (p. 8)
• 1.1.3 Sulfur Compounds (p. 8)
• 1.1.3.1 Mercaptans (p. 9)
• 1.1.3.2 Sulfides (p. 9)
• 1.2 Flavor Synthetics (p. 10)
• 1.3 Natural Aroma Chemicals (p. 11)
• 1.3.1 Isolates (p. 12)
• 1.3.2 Biotechnology (p. 12)
• 1.3.3 'Soft Chemistry' (p. 13)
• 1.4 Fragrance Aroma Chemicals (p. 14)
• 1.4.1 Musks (p. 14)
• 1.4.2 Amber (p. 15)
• 1.4.3 Florals (p. 16)
• 1.4.4 'Woodies' (p. 17)
• 1.4.5 Acetals and Nitriles (p. 17)
• 1.5 Materials of Natural Origin (p. 18)
• 1.5.1 Essential Oils (p. 18)
• 1.5.1.1 Cold-pressing - Citrus Oils (p. 18)
• 1.5.1.2 Steam-distilled Oils (p. 19)
• 1.5.1.3 A Note on 'Adulteration' (p. 20)
• 1.5.2 Absolutes and Other Extracts (p. 21)
• Acknowledgments (p. 21)
• References (p. 21)
• 2 Sample Preparation (p. 23)
• 2.1 Introduction (p. 23)
• 2.2 PDMS (p. 24)
• 2.3 Static Headspace Extraction (p. 25)
• 2.3.1 Advantages and Disadvantages (p. 25)
• 2.4 Dynamic Headspace Extraction (p. 26)
• 2.4.1 Advantages (p. 27)
• 2.4.2 Disadvantages (p. 27)
• 2.5 Solid Phase Microextraction (SPME) (p. 27)
• 2.5.1 Research (p. 27)
• 2.5.2 Practical (p. 29)
• 2.5.3 Advantages (p. 32)
• 2.5.4 Disadvantages (p. 32)
• 2.6 Stir Bar Sorptive Extraction (p. 33)
• 2.6.1 Research (p. 33)
• 2.6.2 Practical (p. 34)
• 2.6.3 Advantages (p. 35)
• 2.6.4 Disadvantages (p. 35)
• 2.7 PDMS Foam and Microvial (p. 36)
• 2.7.1 PDMS Foam (p. 36)
• 2.7.2 Microvial (p. 36)
• 2.8 Solvent Extraction (p. 39)
• 2.5.1 Mixxor (p. 39)
• 2.8.2 Soxhlet Extraction (p. 39)
• 2.8.3 Solvent Assisted Flavor Evaporation (SAFE) (p. 42)
• 2.9 Summary (p. 42)
• References (p. 42)
• 3 Traditional Flavor and Fragrance Analysis of Raw Materials and Finished Products (p. 45)
• 3.1 Overview (p. 45)
• 3.2 Physical Attribute Evaluation (p. 47)
• 3.2.1 Color - "Optical Methods (p. 48)
• 3.2.2 Turbidity (p. 49)
• 3.2.3 Water Activity (p. 49)
• 3.2.4 Moisture Content (p. 50)
• 3.2.4.1 Karl Fischer Method (p. 50)
• 3.2.4.2 Secondary Moisture DeterminationMethods (p. 51)
• 3.2.5 Optical Rotation (p. 51)
• 3.2.6 Specific Gravity (p. 52)
• 3.2.7 Refractive Index (p. 52)
• 3.2.8 Sugars/Soluble Solids (p. 53)
• 3.2.9 Viscosity (p. 54)
• 3.3 Instrumental Analysis (p. 54)
• 3.3.1 Separation Techniques (p. 55)
• 3.3.1.1 Gas Chromatography (GC) (p. 55)
• 3.3.1.2 GC Retention Data (p. 55)
• 3.3.1.3 Standardized Retention Index Systems (p. 55)
• 3.3.1.4 GC Injection (p. 56)
• 3.3.1.5 GC Columns (Stationary Phases) (p. 58)
• 3.3.1.6 GC Detectors (p. 60)
• 3.3.2 Identification Techniques (p. 63)
• 3.3.2.1 Retention Index Approach (p. 63)
• 3.3.2.2 GC-MS (p. 64)
• 3.3.2.3 MS/MS (p. 65)
• References (p. 61)
• 4 Gas Chromatography/Olfactometry (GC/O) (p. 69)
• 4.1 Introduction (p. 69)
• 4.2 Odor Assessors' Selection and Training (p. 70)
• 4.3 Sensory Vocabulary (p. 71)
• 4.4 GC/Olfactometers (Sniffers) (p. 72)
• 4.5 Practical Considerations (p. 73)
• 4.6 Types of GC/Olfactometry (p. 73)
• 4.6.1 Dilution Analysis (p. 73)
• 4.6.2 Time Intensity (p. 76)
• 4.6.3 Detection Frequency (p. 79)
• 4.6.4 Posterior Intensity Method (p. 82)
• 4.7 Sample Introduction (p. 83)
• 4.8 Identification of Aroma-active Peaks (p. 84)
• 4.8.1 Standardized Retention Index Values (p. 84)
• 4.8.2 Aroma Description Matching (p. 85)
• 4.8.3 MS Identifications (p. 85)
• 4.8.4 Use of Authentic Standards (p. 86)
• 4.9 Conclusion (p. 86)
• References
• 5 Multivariate Techniques (p. 91)
• 5.1 Introduction (p. 91)
• 5.2 Hierarchical Cluster Analysis (HCA) (p. 97)
• 5.3 Principal Component Analysis (PCA) (p. 98)
• 5.4 Classification Models (p. 99)
• 5.4.1 K-Nearest Neighbors (K-NN) (p. 100)
• 5.4.2 Soft Independent Modeling of Class Analogy (SIMCA) (p. 100)
• 5.5 Principal Component Regression (p. 101)
• 5.6 Example of Data Analysis for Classification Models (p. 102)
• 5.6.1 Tabulating Data (p. 102)
• 5.6.2 Examining Data (p. 103)
• 5.6.3 Multivariate Exploratory Analysis (p. 103)
• 5.6.4 Creation of a Classification Model with a Training Set and Validation with a Testing Set (p. 106)
• References (p. 109)
• 6 Electronic Nose Technology and Applications (p. 111)
• 6.1 Introduction (p. 111)
• 6.2 Human Smell and Electronic Noses (p. 112)
• 6.3 Techniques to Analyze Odors/Flavors (p. 113)
• 6.3.1 Sensory Panel (p. 113)
• 6.3.2 GC and GC/MS (p. 114)
• 6.3.3 GC/Olfactometry (p. 114)
• 6.3.4 Electronic Nose (p. 115)
• 6.3.5 Electronic Nose Technology and Instrumentation (p. 115)
• 6.3.5.1 Architecture (p. 115)
• 6.3.5.2 Air Generator (p. 117)
• 6.3.5.3 Sampling (p. 118)
• 6.3.5.4 Detection Technologies (p. 121)
• 6.3.6 Data Treatment Tools (p. 127)
• 6.4 The Main Criticisms Directed at the Electronic Nose (p. 134)
• 6.5 Market and Applications (p. 136)
• 6.5.1 Application Range (p. 136)
• 6.5.2 Perfumery Compound Detection in a Fragrance (p. 138)
• 6.5.3 Cosmetic Natural Raw Materials: Characterization of Volatile Constituents of Benzoin Gum (p. 139)
• 6.5.4 Home Care Products: Identification and Quantification Using an Electronic Nose in the Perfumed Cleaner Industry (p. 142)
• 6.5.5 Pharmaceutical Products: Flavor Analysis in Liquid Oral Formulations (p. 146)
• References (p. 151)
• 7 MS/Nose Instrumentation as a Rapid QC Analytical Tool (p. 155)
• 7.1 Introduction (p. 155)
• 7.2 Operating Principle (p. 157)
• 7.3 Advantages of MS over Solid State Sensors (p. 160)
• 7.4 Using Other Sample Preparation Modes (p. 160)
• 7.5 Techniques for Improving Reliability and Long-term Stability (p. 161)
• 7.5.1 Calibration Transfer Algorithms (p. 161)
• 7.5.2 Internal Standards (p. 162)
• 7.6 Two Instruments in One (p. 163)
• 7.7 Application Examples (p. 163)
• 7.8 of Coffee Samples by Geographic Origin (p. 164)
• 7.9 Classification of Whiskey Samples by Brand (p. 166)
• 7.10 Future Directions: Partnering MS/Nose with GC/MS (p. 168)
• 7.11 Conclusion (p. 170)
• References (p. 170)
• 8 Sensory Analysis (p. 173)
• 8.1 Introduction (p. 173)
• 8.2 The Purpose of Sensory Analysis (p. 174)
• 8.3 Flavor Perception (p. 177)
• 8.4 Sensory Analysis Techniques (p. 178)
• 8.4.1 Overall Difference Tests (p. 179)
• 8.4.1.1 Triangle Test (p. 180)
• 8.4.1.2 Duo-Trio Test (p. 182)
• 8.4.1.3 Simple Difference Test (p. 182)
• 8.4.2 Single Attribute Difference Tests (p. 184)
• 8.4.2.1 Difference from Control (p. 184)
• 8.4.2.2 Paired Comparison Test (p. 184)
• 8.4.2.3 Ranking Tests (p. 185)
• 8.4.3 Descriptive Tests (p. 186)
• 8.4.4 Affective Tests (p. 188)
• 8.5 Preparation and Planning (p. 189)
• 8.5.1 Experimental Design (p. 189)
• 8.5.2 Environment (p. 191)
• 8.5.3 Sample Preparation (p. 191)
• 8.6 Panel Selection (p. 192)
• 8.6.1 Trained Panels (p. 193)
• 8.6.2 Consumer Panels (p. 194)
• 8.7 Conducting a Panel (p. 195)
• 8.8 Expression of Results (p. 196)
• 8.9 Conclusions (p. 197)
• References (p. 198)
• 9 Regulatory Issues and Flavors Analysis (p. 201)
• 9.1 Introduction (p. 201)
• 9.2 Regulatory Overview (p. 202)
• 9.2.1 History (p. 202)
• 9.2.2 Safety Regulations (p. 204)
• 9.2.3 Product Labelling Regulations (p. 206)
• 9.2.4 Fair Trade/Conformity with Established Standards (p. 208)
• 9.2.5 Flavor Types (p. 209)
• 9.2.6 Governing Authorities (p. 211)
• 9.2.7 Role of Flavor Analysis in Regulatory Conformance (p. 212)
• 9.3 Specific Regulatory Issues (p. 213)
• 9.3.1 Identifying the Presence of 'Forbidden' Substances (p. 213)
• 9.3.1.1 Heavy Metals such as Pb, As, Hg, and Cd (p. 214)
• 9.3.1.2 Pesticides (p. 214)
• 9.3.1.3 Environmental Toxins (p. 215)
• 9.3.1.4 Allergen Testing (p. 216)
• 9.3.2 Testing Whether a Product is 'Natural' or Meets a 'Standard of Identity' (p. 216)
• 9.3.3 Testing for Other Regulatory Compliance Requirements (p. 219)
• References (p. 220)
• Index (p. 223)

Author notes provided by Syndetics

Contributors:

Russell Bazemore
Marion Bonnefille
Vanessa Kinton
Kanjana Mahattanatawee
Carlos Margaria
Ray Marsili
Anne Plotto
Russell Rouseff
David Rowe