Firman, J, Patel, A, Date, M, Cronin, MTD and Schultz, TW (2018) Read-across of 90-day rodent repeated-dose toxicity: A case study for selected simple aryl alcohol alkyl carboxylic acid esters. Computational Toxicology, 7. pp. 1-8. ISSN 2468-1113

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Abstract

Aryl alcohol alkyl carboxylic acid esters constitute a wide-employed class of fragrance materials. Outcomes presented within this study illustrate formulation of a read-across protocol for 90-day, repeat-dose toxicity within a series of these compounds, extending in scope to the dodecanoic acid esters of both benzyl and 2-phenylethyl alcohol. Central to the filling of data gaps is the hypothesis that adverse impact – mediated through mechanisms analogous to narcosis-associated non-specific basal cytotoxicity – is as a consequence of the hydrolysis of parent compounds to their corresponding alcohol. High-quality in vivo data (equivalent to either OECD Test Guideline 408 or 411) relating the toxicodynamic and toxicokinetic profiles of benzyl alcohol, 2-phenylethyl alcohol and benzyl acetate within rodents were retrieved, permitting extrapolation to each ester derivative with great confidence. NOAEL values of 250-500 mg/kg/day were assigned to esters, with a greater toxicity present within females. In order to greater enhance reliability, further theoretical support for the read-across prediction is provided through the integration, where appropriate, of in vitro and in silico data.

Item Type:	Article
Subjects:	Q Science > QD Chemistry R Medicine > RM Therapeutics. Pharmacology
Divisions:	Pharmacy & Biomolecular Sciences
Publisher:	Elsevier
Date Deposited:	14 May 2018 08:54
Last Modified:	04 Sep 2021 10:30
URI:	https://researchonline.ljmu.ac.uk/id/eprint/8648

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