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Ecotoxicological information

Long-term toxicity to fish

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Administrative data

Endpoint:
adult fish: sub(lethal) effects
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Accepted QSAR model
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: ECSAR model prediction
Title:
EPISIUTE model predictions for 4,4'-methylene bis(2,6-di-tertbutyl phenol)
Author:
Jacobi S
Year:
2013
Bibliographic source:
US Environmental Protection Agency Office of Pollution Prevention and Toxics and Syracuse Research Corporation. EPI Suite TM 2000-2012
Report date:
2013

Materials and methods

Principles of method if other than guideline:
QSAR using ECOSAR v 1.11, US, EPA
Trainig data set: polyphenols and baseline toxicity Neutral organic SAR

Test material

Constituent 1
Chemical structure
Reference substance name:
2,2',6,6'-tetra-tert-butyl-4,4'-methylenediphenol
EC Number:
204-279-1
EC Name:
2,2',6,6'-tetra-tert-butyl-4,4'-methylenediphenol
Cas Number:
118-82-1
Molecular formula:
C29H44O2
IUPAC Name:
2,6-di-tert-butyl-4-[(3,5-di-tert-butyl-4-hydroxyphenyl)methyl]phenol

Results and discussion

Effect concentrationsopen allclose all
Duration:
14 d
Dose descriptor:
NOEC
Effect conc.:
>= 0.003 mg/L
Nominal / measured:
not specified
Conc. based on:
test mat.
Basis for effect:
other: chronic toxicity estimate QSAR plyphenols duration minimum 14 d
Remarks on result:
other: concentration above the solubility limit as predicted by the model
Duration:
14 d
Dose descriptor:
NOEC
Effect conc.:
>= 0.038 µg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
other: chronic toxicity estimate QSAR neutral organics duration minimum 14 d
Remarks on result:
other: concentration above the solubility limit as indicated by the model
Details on results:
Based on Acute to chronic toxixicty ratios of classes of substances. Applicability domain log Kow 8. log Kow used: 8.993. The prediction is on the limit of the applicability domain of the model.

Applicant's summary and conclusion

Conclusions:
The model predicts a toxicity level above the solubility limit. This is consistent with the existing experimental data.