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. 2023 Feb;138:105333. doi: 10.1016/j.yrtph.2023.105333

Table 4.

Lipophilic chemicals which were rated as false-positive vs guinea pig in the studies by Kreiling et al. and Ball et al.

CAS Structure Name cLogP Chem-Draw LLNA Result (EC3%) Guinea pig result
Study of Kreiling et al.
112-80-1 Image 1 Oleic acid 7.8 10.4 negative
60-33-3 Image 2 Linoleic acid 7.3 14 negative/ambiguous
463-40-1 Image 3 Linolenic acid 6.8 10 negative
111-02-4 Image 4 Squalene 12.9 <10% negative
Study of Ball et al.
n.a. Image 5 Hexadecan-1-ol, Ethoxylated (2 EO) 7 1.2 negative (0/20)
n.a. Image 6 Decylphenolpolyethylene glycol ether 4.8 2.0 negative (0/20)
n.a. Image 7 Hexaethylene glycol monododecyl ether 4.2 7.4 negative (0/20)
n.a. Image 8 Tetraethylene glycol monotetradecyl ether 5.6 2.8 negative (0/20)