Green Solvent Selection for Emulsifiable Concentrate Agrochemical Formulations

Ana Pacheco; Thomas Attard; David Calvert; James Bullock; James H. Clark; James Sherwood; C. Robert McElroy

doi:10.1021/acs.oprd.3c00211

Green Solvent Selection for Emulsifiable Concentrate Agrochemical Formulations

Ana Pacheco, Thomas Attard, David Calvert, James Bullock, James H. Clark, James Sherwood^*, C. Robert McElroy^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

Emulsifiable concentrates are a common form of agrochemical formulation in which a high quantity of active ingredient is typically dissolved in an aromatic hydrocarbon solvent. There are considerable health and environmental hazards associated with the solvents in emulsifiable concentrates, and finding alternatives was deemed worthy of investigation. Using a combination of in silico modeling and experimental testing, a number of alternative safer solvents have been tested for the agrochemicals pendimethalin, prochloraz, and pyraclostrobin. Cyclohexanone, diethyl carbonate, ethyl acetate, and dihydrolevoglucosenone (Cyrene) were observed to be effective solvents.

Original language	English
Number of pages	5
Journal	Organic Process Research and Development
Early online date	20 Dec 2023
DOIs	https://doi.org/10.1021/acs.oprd.3c00211
Publication status	E-pub ahead of print - 20 Dec 2023

Bibliographical note

Publisher Copyright:
© 2023 The Authors. Published by American Chemical Society.

Keywords

agrochemicals
formulations
modeling
solvents

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10.1021/acs.oprd.3c00211Licence: CC BY

GreenSolventSelectionfor EmulsifiableConcentrateAgrochemicalFormulations
© 2023 The Authors.
Final published version, 1.7 MBLicence: CC BY

Cite this

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abstract = "Emulsifiable concentrates are a common form of agrochemical formulation in which a high quantity of active ingredient is typically dissolved in an aromatic hydrocarbon solvent. There are considerable health and environmental hazards associated with the solvents in emulsifiable concentrates, and finding alternatives was deemed worthy of investigation. Using a combination of in silico modeling and experimental testing, a number of alternative safer solvents have been tested for the agrochemicals pendimethalin, prochloraz, and pyraclostrobin. Cyclohexanone, diethyl carbonate, ethyl acetate, and dihydrolevoglucosenone (Cyrene) were observed to be effective solvents.",

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T1 - Green Solvent Selection for Emulsifiable Concentrate Agrochemical Formulations

AU - Pacheco, Ana

AU - Attard, Thomas

AU - Calvert, David

AU - Bullock, James

AU - Clark, James H.

AU - Sherwood, James

AU - McElroy, C. Robert

PY - 2023/12/20

Y1 - 2023/12/20

N2 - Emulsifiable concentrates are a common form of agrochemical formulation in which a high quantity of active ingredient is typically dissolved in an aromatic hydrocarbon solvent. There are considerable health and environmental hazards associated with the solvents in emulsifiable concentrates, and finding alternatives was deemed worthy of investigation. Using a combination of in silico modeling and experimental testing, a number of alternative safer solvents have been tested for the agrochemicals pendimethalin, prochloraz, and pyraclostrobin. Cyclohexanone, diethyl carbonate, ethyl acetate, and dihydrolevoglucosenone (Cyrene) were observed to be effective solvents.

AB - Emulsifiable concentrates are a common form of agrochemical formulation in which a high quantity of active ingredient is typically dissolved in an aromatic hydrocarbon solvent. There are considerable health and environmental hazards associated with the solvents in emulsifiable concentrates, and finding alternatives was deemed worthy of investigation. Using a combination of in silico modeling and experimental testing, a number of alternative safer solvents have been tested for the agrochemicals pendimethalin, prochloraz, and pyraclostrobin. Cyclohexanone, diethyl carbonate, ethyl acetate, and dihydrolevoglucosenone (Cyrene) were observed to be effective solvents.

KW - agrochemicals

KW - formulations

KW - modeling

KW - solvents

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DO - 10.1021/acs.oprd.3c00211

M3 - Article

AN - SCOPUS:85180932525

SN - 1083-6160

JO - Organic Process Research and Development

JF - Organic Process Research and Development

ER -

Green Solvent Selection for Emulsifiable Concentrate Agrochemical Formulations

Abstract

Bibliographical note

Keywords

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