Registration Dossier

Administrative data

Endpoint:
acute toxicity: oral
Type of information:
(Q)SAR
Adequacy of study:
disregarded due to major methodological deficiencies
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
other: The study results are disregarded as the substance is out of the the Applicability Domain (AD) of the model.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
publication
Title:
Oral rat LD50
Author:
U.S. Environmental Protection Agency
Bibliographic source:
T.E.S.T. v.4.1
Report date:
2013

Materials and methods

Test guideline
Guideline:
other: REACH guidance on QSARs R6, May 2008

Test material

Constituent 1
Chemical structure
Reference substance name:
2-(4-bromophenyl)-2-methylpropanoic acid
Cas Number:
32454-35-6
Molecular formula:
C10H11BrO2
IUPAC Name:
2-(4-bromophenyl)-2-methylpropanoic acid
Details on test material:
SMILE: Brc1ccc(cc1)C(C(=O)O)(C)C

InChI: InChI=1S/C10H11BrO2/c1-10(2,9(12)13)7-3-5-8(11)6-4-7/h3-6H,1-2H3,(H,12,13)

Test animals

Species:
rat

Results and discussion

Effect levels
Dose descriptor:
LD50
Effect level:
ca. 2 200.11 mg/kg bw

Any other information on results incl. tables

Model assessment:

Prediction is "LD50 = 2200.11 mg/kg", but the result may be not reliable as only moderately similar compounds with known experimental value in the training set have been found.

Details are provided in attachment on the section: "attached full study report".

Applicant's summary and conclusion

Interpretation of results:
not classified
Remarks:
Migrated information Criteria used for interpretation of results: EU
Conclusions:
The obtained results are disregarded as the substance is out from the applicability domain of the model.