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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
toxicity to reproduction: other studies
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
January 2010
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: see 'Remark'
Remarks:
Teratogenicity was estimated for three major constituents in Small Vinyl Ester including methacrylic acid. Estimations were performed the QSAR programs MultiCASE (MC4PC v2.1.0.18) and the PASS system developed using drug data. The estimations were performed by the Danish QSAR Group at DTU Food.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: QSAR report
Title:
Unnamed
Year:
2010
Report date:
2010

Materials and methods

Principles of method if other than guideline:
QSAR estimation using the MultiCASE (MC4PC v2.1.0.18) human teratogenicity model and the PASS system (February 2010) developed using drug data.

Test material

Constituent 1
Chemical structure
Reference substance name:
2-hydroxy-3-{4-[2-(4-{2-hydroxy-3-[(2-methylprop-2-enoyl)oxy]propoxy}phenyl)propan-2-yl]phenoxy}propyl 2-methylprop-2-enoate
EC Number:
701-308-4
Cas Number:
36425-15-7
Molecular formula:
n/a
IUPAC Name:
2-hydroxy-3-{4-[2-(4-{2-hydroxy-3-[(2-methylprop-2-enoyl)oxy]propoxy}phenyl)propan-2-yl]phenoxy}propyl 2-methylprop-2-enoate
Details on test material:
The teratogenicity potential was estimated for the main constituent of Small Vinyl Ester (bisGMA) and for two other constituents (epoxy-monoGMA, 3% and dihydroxy-monoGMA, 2%). The teratogenicity potential was not estimated for polymeric reaction products (13% of Small Vinyl Ester). These are higher molecular weight analogues to the main constituent, bisGMA and is judged to have the same or lower teratogenic potential than bisGMA, inter alia due to very low systemic bioavailability.

Results and discussion

Any other information on results incl. tables

The QSAR predictions show the following results, cf. Section 13 QSAR evaluations).

bisGMA contains no substructures that significantly correlates to the human teratology model in MultiCASE. The PASS system indicates a potential for teratogenicity and embryotoxicity.

polymeric reaction products is judged to have the same or lower potential to cause reproduction toxicity as bisGMA, inter alia due to very low systemic bioavailability.

epoxy-monoGMA is out of the domain of the human teratology model in MultiCASE. The PASS system indicates a potential for teratogenicity and embryotoxicity, possibly due to interference with lipid metabolism.

dihydro-monoGMA contains no substructures that significantly correlates to the human teratology model in MultiCASE. The PASS system indicates a potential for teratogenicity and embryotoxicity, possibly due to interference with lipid metabolism.

methacrylic acid is assessed by the EU to be not toxic to reproduction. (Risk Assessment Report, 1st priority list, vol. 25. 2002).

Applicant's summary and conclusion

Conclusions:
The constituents of Small Vinyl Ester does not contain substructures that is correlated to potential for teratogenic potential in the MultiCASE human teratogenicity model (bisGMA, dihydroxy-monoGMA and polymeric reaction products) or is outside the model's domain (epoxy-monoGMA). However, the PASS system developed for drugs indicate potential of the constituents for teratogenicity and embryotoxicity. The residual monomer methacrylic acid is assessed by the EU to be not toxic to reproduction. The overall conclusion is that Small Vinyl Ester may have a low potential to be toxic to reproduction.
Executive summary:

The constituents of Small Vinyl Ester do not contain sub-structures that are correlated with potential for teratogenic potential in the MultiCASE human teratogenicity model (bis-GMA, dihydroxy-monoGMA and polymeric reaction products) or are outside the model's domain (epoxy-monoGMA). However, the PASS system developed for drugs indicate potential of the constituents for teratogenicity and embryotoxicity. The residual monomer methacrylic acid is assessed by the EU to be not toxic to reproduction.

The overall conclusion is that Small Vinyl Ester may have a low potential to be toxic to reproduction.