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Thymol-Menthol Deep Eutectic Solvents and Eutectogels as Pharmaceutical Crystallization Media [dataset] Open Access

Deep eutectic solvents (DES) employing natural products represent a green alternative to conventional crystallization solvents in the pharmaceutical industry. In this work we report the use of the thymol-menthol DES as an effective crystallization solvent for a variety of active pharmaceutical ingredients and pharmaceutical cocrystals, namely aspirin, paracetamol, nicotinamide, benzamide, carbamazepine, mexiletine hydrochloride and ROY. While the involatile nature of thymol-menthol means that evaporative crystallization typically yielded the most thermodynamically stable forms, cooling crystallization yielded surprising metastable forms of the olanzapine precursor ROY depending on the composition of the DES. The 30:70 DES produced the triclinic YN form, the 70:30 composition formed monoclinic ON, while the thermodynamic Y form was obtained from a 50:50 DES mixture. Using L-menthol in the DES instead of racemic menthol resulted in dissolution rate differences in the case of ornidazole and offered the unusual property of chirality in a solvent medium. The DES was successfully used to form salicylic acid–nicotinamide and nevirapine–benzoic acid pharmaceutical cocrystals. It was also gelled by a small molecular bis(urea) gelator allowing supramolecular gel phase DES crystallization.

Descriptions

Resource type

Dataset

Contributors

Creator: Steed, Jonathan ¹
Contact person: Steed, Jonathan ¹
Editor: Steed, Jonathan ¹
Data collector: Connolly, Daniel ¹
Editor: Connolly, Daniel ¹

¹ Durham University, UK

Funder

Durham University

Research methods

PXRD, NMR, SC-XRD, IR spectroscopy, Rheometry

Other description

Contains two data files: NMR data in Mestre nova format and Spectra in Origin project format.

Keyword

Pharamceuticals
Gels
Polymorphism
Cocrystal
Eutectic

Subject

Colloids
Solvents
Nuclear magnetic resonance spectroscopy

Location

Durham, England, United Kingdom

Language

English

Cited in

Identifier

ark:/32150/r22n49t171v
doi:10.15128/r22n49t171v

Rights

Creative Commons Attribution 4.0 International (CC BY)

Publisher

Durham University

Date Created

7/7/25

File Details

Depositor

J.W. Steed

Date Uploaded

7 July 2025, 12:07:57

Date Modified

8 July 2025, 12:07:33

Audit Status

Audits have not yet been run on this file.

Characterization

File format: zip (ZIP Format)

Mime type: application/zip

File size: 9268135

Last modified: 2025:07:07 13:36:24+01:00

Filename: Data for Thymol-Menthol Deep Eutectic Solvents and Eutectogels as Pharmaceutical Crystallization Media.zip

Original checksum: 1fc16019bc0054ea4e74d8158d373918