Rapid evaluation and quantitative analysis of eugenol derivatives in essential oils and cosmetic formulations on human skin using attenuated total reflectance–infrared spectroscopy
Open accessAbstract
We studied the fragrances 4-allylbenzenes (eugenol, methyl eugenol, acetyl eugenol) as well as 4-propenylbenzenes (isoeugenol) in commercial essential oils using a fast and nondestructive attenuated total reflectance–infrared (ATR–IR) spectroscopy method. The method was based on ATR–IR utilizing partial least square regression. The calibrations were modeled in the characteristic region for eugenol (1430–1432 cm−1), isoeugenol (960–970 cm−1) and methyl eugenol (803–807 cm−1). The models were then applied to predict the percutaneous absorption process yield and to monitor the concentrations of eugenol derivatives on human skin.
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Strong FTIR peaks at 2930 and 2933 cm−1 are due to CH and peak at 1638 cm−1 corresponding to C=C aromatic moiety were found similar in both O. tenuiflorum and O. gratissimum samples.
“Strong peaks at 2930 and 2933 cm−1 are due to CH and peak at 1638 corresponding to C⚌C aromatic moiety (Wang and Sung, 2011) were found similar in both the samples of Ocimum tenuiflorum and Ocimum gratissimum.”
From Vibrational spectroscopic methods for the identification and distinction of essential oils in genus Ocimum L.: A chemometric approach (2022) · cites this paper as Wang and Sung, 2011
Section 3.1 assigns an ATR-IR band to aromatic C=C, supporting the general peak assignment, but places it at 1604 cm−1 rather than the cited 1638 cm−1. The paper does not report CH peaks at 2930 or 2933 cm−1; Section 2.2 lists the oils studied and does not include either named Ocimum species. (LLM, conf=0.86)
Experimental — accuracy not yet measuredThe Raman peak at 1611 cm−1 in O. tenuiflorum is attributed to the benzene ring of eugenol and methyl eugenol.
“whereas peak at 1611 cm−1 is attributed to the benzene ring of eugenol and methyl eugenol (Chowdhry et al., 2015; Wang and Sung, 2011).”
From Vibrational spectroscopic methods for the identification and distinction of essential oils in genus Ocimum L.: A chemometric approach (2022) · cites this paper as Wang and Sung, 2011
Section 3.1 (page unavailable) assigns an aromatic C=C band at 1604 cm−1 in ATR-IR, but assigns it to acetyl eugenol, not to eugenol and methyl eugenol. The paper does not report a Raman peak at 1611 cm−1 or measurements in O. tenuiflorum, so it supports only the broader connection between a nearby spectral band and an aromatic ring. (LLM, conf=0.87)
Experimental — accuracy not yet measuredThe Raman peak at 1611 cm−1 in Ocimum tenuiflorum is attributed to benzene ring of eugenol and methyl eugenol.
“This band corresponds to exocyclic C⚌C of eugenol, whereas peak at 1611 cm−1 attributed to benzene ring of eugenol and methyl eugenol (Chowdhry et al., 2015; Wang and Sung, 2011).”
From Vibrational spectroscopic methods for the identification and distinction of essential oils in genus Ocimum L.: A chemometric approach (2022) · cites this paper as Wang and Sung, 2011
Section 3.1 (page unavailable) assigns an ATR-IR band at 1604 cm−1 to aromatic C=C vibration in the eugenol derivatives. It does not identify a Raman peak at 1611 cm−1 in Ocimum tenuiflorum or assign that specific peak to eugenol and methyl eugenol. (LLM, conf=0.84)
Experimental — accuracy not yet measuredThe authors' spectral results for principal essential oil components agree with previous studies and published literature.
“Our spectral data agree completely with the results of Gas chromatography and vibrational spectroscopic work (Wang and Sung, 2011; Pramod et al., 2015) for characteristic components.”
From Vibrational spectroscopic methods for the identification and distinction of essential oils in genus Ocimum L.: A chemometric approach (2022) · cites this paper as Wang and Sung, 2011
The Raman band at 1640 cm−1 in Ocimum tenuiflorum corresponds to exocyclic C=C of eugenol.
“This band corresponds to exocyclic C⚌C of eugenol, whereas peak at 1611 cm−1 attributed to benzene ring of eugenol and methyl eugenol (Chowdhry et al., 2015; Wang and Sung, 2011).”
From Vibrational spectroscopic methods for the identification and distinction of essential oils in genus Ocimum L.: A chemometric approach (2022) · cites this paper as Wang and Sung, 2011
Section 3.1 reports ATR-IR bands for eugenol derivatives, including a 1604 cm−1 aromatic C=C band, but does not assign a 1640 cm−1 Raman band to eugenol’s exocyclic C=C bond. The sample list in Section 2.2 does not include Ocimum tenuiflorum. Searches for 1640 cm−1, exocyclic C=C, and Raman did not locate the claimed assignment in our copy. (LLM, conf=0.76)
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Cited by
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Tyagi, A., Yadav, A. K., Yadav, A., Saini, L., Kumar, V., Jain, P., Mohammad, I., Ansari, M. J., El Enshasy, H. A., Abdel-Gawad, F. K., et al. (2022) · Journal of King Saud University: Science · doi:10.1016/j.jksus.2022.102355 · Cited by 17 · see citing works
- Authors
- Wang, L.-H., & Sung, W.-C.
- Affiliations
- Chia Nan University of Pharmacy and Science (TW)
- Corresponding author
- Wang, Lai-Hao
- Venue
- Spectroscopy
- Publisher
- Wiley
- Published
- 2011
- Volume
- 26
- Issue
- 1
- Pages
- 43-52
- ISSN
- 0712-4813 (ISSN-L)
- 1875-922X
- OpenAlex
- W4239024800
- Cited by
- 37
- References
- 0
- Citations by year
- 2026: 1 · 2025: 3 · 2024: 2 · 2023: 6 · 2022: 6 · 2021: 3 · 2020: 5 · 2019: 2 · 2018: 3 · 2017: 1 · 2016: 2 · 2015: 1 · 2012: 2
- FWCI
- 0.62
- Type
- journal article
- Language
- en
- Open access
- hybrid
- doi.org
- Locations
- Spectroscopy An International Journal (publishedVersion, cc-by)
- Funders
- National Science Council (NSC 96-2113-M-041-003-MY3)
- Topics
- Physical Sciences › Chemistry › Analytical Chemistry › Spectroscopy and Chemometric Analyses
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Biophysics › Spectroscopy Techniques in Biomedical and Chemical Research
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Spectroscopy and Quantum Chemical Studies
- Keywords
- eugenol derivatives, essential oils, cosmetic formulation, isoeugenol, methyl eugenol, percutaneous absorption, partial least squares regression, ATR-FTIR spectroscopy, fragrance analysis
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