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EC number: 412-440-4
CAS number: 2725-22-6
This study was designed to generate estimated in silico
(non-testing) bioconcentration factor (BCF) values in fish for
reliability score of 2 was assigned, since results were derived from a
valid QSAR model with adequate and reliable documentation/justification.
The bioconcentration factor (BCF) of the compound was estimated
employing the BCFBAF estimation program, implemented in EPI Suite, which
provides BCF estimations based on LogKow and correction factors for
specific structural features.
A LogBCF prediction of 0.969 (corresponding to a BCF equal to
9.316 L/kg) was obtained. BCF estimations for the target were based on
the non-ionic equations for compounds having a LogKow value in the range
1 – 7. Two correction factors were also identified in the target
compound, and thus included in the model equation. The QSAR prediction
was assessed as moderately reliable due to limited uncertainty based on
the following considerations: 1) scientific validity of the QSAR model:
overall good prediction accuracy of the BCF estimation method (R2TR =
0.83, n = 527; R2V = 0.82, n = 158). In more detail, good prediction
accuracy of the BCF estimation method for non-ionic compounds with
LogKow values in the range 1 ÷ 7 (R2TR = 0.79, Q2TR = 0.78, n = 396); 2)
applicability domain: the
included in the AD of the model.
Overall, the LogBCF QSAR prediction was assessed as adequate for
The objective of this test is to to obtain information on concentration
of the test substance in the carp (Cyprinus carpio). The test has been
performed according to the "Concentration test of chemical substances
in fish body" described in "On test methods of new chemical substancse"
in regulations (Kanpogyo No.5, Yakuhatsu No.615, 49 Kikyoku No.392)
issued on July 13, 1974.
The LC 50 for 48 h exposure: 300 mg/L or higher.
Concentration as ratio: The first test concentration: 0.3 times or less
- 15 times. The second test concentration: 2.5 times or less - 5.1 times.
The BCF value calculated was more than 1 and less than 100 using the
method of JIS Z 8401-1961. Therefore, the substance is considered not to
be bio-accumulative under these conditions of manipulations.
Bioaccumulation of the substance was assessed in silico and in vivo in
the fish. Both tests type indicate that the substance is not
bioaccumulative. That is why there is no reason to classify the
substance as H413.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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