Registration Dossier

Data platform availability banner - registered substances factsheets

Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

Endpoint:
developmental toxicity
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: The study results are considered because the substance is in 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:
Developmental Toxicity model (CAESAR) (version 2.1.4)
Author:
Laboratory of Environmental Chemistry and Toxicology of Mario Negri Institute of Pharmacological Research.
Bibliographic source:
VegaNIC v.1.0.6
Report date:
2013

Materials and methods

Test guideline
Guideline:
other: REACH guidance on QSARs R6, May 2008
Principles of method if other than guideline:
General model for estimating the developmental toxicity.

Test material

Constituent 1
Chemical structure
Reference substance name:
2-phenylisobutyric acid
EC Number:
212-556-3
EC Name:
2-phenylisobutyric acid
Cas Number:
826-55-1
Molecular formula:
C10H12O2
IUPAC Name:
2-methyl-2-phenylpropanoic acid
Details on test material:
SMILE: CC(C)(C1=CC=CC=C1)C(=O)O

InChI: InChI=1S/C10H12O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12)

Results and discussion

Results (fetuses)

Fetal abnormalities

Abnormalities:
not specified

Overall developmental toxicity

Developmental effects observed:
not specified

Applicant's summary and conclusion

Conclusions:
The study results are in the Applicability Domain (AD) of the models. Therefore, the substance is development toxicant.