Facial reconstruction

Search LJMU Research Online

Browse Repository | Browse E-Theses

Read-across of 90-day rodent repeated-dose toxicity: A case study for selected simple aryl alcohol alkyl carboxylic acid esters

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

[img] Text
Read-across of 90-day rodent repeated-dose toxicity A case study for selected simple aryl alcohol alkyl carboxylic acid esters.pdf - Accepted Version
Restricted to Repository staff only
Available under License Creative Commons Attribution Non-commercial No Derivatives.

Download (1MB)

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: 10 Oct 2018 00:39
URI: http://researchonline.ljmu.ac.uk/id/eprint/8648

Actions (login required)

View Item View Item