# Effect of E-Beam and X-Ray Irradiation on Radiation–Chemical Yield and Reaction Rate of Volatile Organic Compound Transformations

**Authors:** Victoria Ipatova, Ulyana Bliznyuk, Polina Borshchegovskaya, Timofey Bolotnik, Alexander Chernyaev, Igor Gloriozov, Elena Kozlova, Alexander Nikitchenko, Anastasia Oprunenko, Mariya Toropygina, Irina Ananieva, Igor Rodin

PMC · DOI: 10.3390/molecules30214226 · Molecules · 2025-10-29

## TL;DR

This study examines how electron beam and X-ray irradiation affect the breakdown of 1-hexanol, a volatile compound in food, to identify reliable markers for food irradiation safety.

## Contribution

The study introduces hexanal as a quantitative marker for hexanol degradation under irradiation, enabling accurate dose range determination in food safety.

## Key findings

- Hexanal formation correlates strongly with 1-hexanol degradation under irradiation.
- A mathematical model predicts dose-dependent transformations of 1-hexanol into hexanal.
- GC–MS analysis shows non-linear 1-hexanol decomposition with increasing irradiation dose.

## Abstract

This study investigates the impact of 1 MeV electron beam and 80 keV X-ray irradiation on the decomposition rate and radiation–chemical yield of 1-hexanol in aqueous saline solution to develop a comprehensive approach to determining reliable volatile organic compound markers for food irradiation. A 50 mg/L 1-hexanol solution was irradiated with the doses ranging from 100 to 8000 Gy at various dose rates ranging from 0.2 to 10 Gy/s to assess the impact of irradiation parameters on the decomposition rate and radiation–chemical yield of volatile compounds typically found in food. GC–MS analysis revealed a non-linear decrease in 1-hexanol concentration with increasing dose, accompanied by the formation of aldehydes, ketones, and secondary alcohols. Among these products, hexanal was detected at the lowest applied dose and exhibited dose-dependent behavior that correlated strongly with 1-hexanol degradation. Density functional theory calculations identified the most probable pathways for the formation of hexanol decomposition products, involving direct ionization, radical reactions, and oxidation. A mathematical model proposed in the study describes dose-dependent transformations of 1-hexanol into hexanal, enabling quantitative estimation of the degradation extent of hexanol. The findings suggest that hexanal can serve as a quantitative marker for hexanol degradation, supporting the development of rapid “dose range” determination methods for food irradiation that ensure microbial safety while minimizing undesirable oxidation of proteins, fats, and carbohydrates.

## Linked entities

- **Chemicals:** 1-hexanol (PubChem CID 8103), hexanal (PubChem CID 6184), aldehydes (PubChem CID 6449839), secondary alcohols (PubChem CID 887)

## Full-text entities

- **Chemicals:** hexanol (MESH:D000441), saline (MESH:D012965), aldehydes (MESH:D000447), Volatile Organic Compound (MESH:D055549), 1-hexanol (MESH:C036260), carbohydrates (MESH:D002241), E-Beam (-), ketones (MESH:D007659), hexanal (MESH:C010463)

## Full text

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## Figures

29 figures with captions in the complete paper: https://tomesphere.com/paper/PMC12608382/full.md

## References

81 references — full list in the complete paper: https://tomesphere.com/paper/PMC12608382/full.md

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Source: https://tomesphere.com/paper/PMC12608382