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EC number: 619-409-6 | CAS number: 99208-50-1
Toxicity to reproduction
Administrative data
- Endpoint:
- fertility, other
- Remarks:
- QSAR
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2019
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification
- Justification for type of information:
- The aim of this study is to assess the hazardous potential of the substance 10-(2, 5-Dihydroxyphenyl)-10H-9-oxa-10-phosphaphenanthrene-10-oxide (DOPO-HQ) with respect to repeated dose toxicity and related reproductive and developmental toxicity effects. The assessment will include expert analysis on the reactivity and possible transformations of the target chemical as well as in silico predictions.
Data source
Reference
- Reference Type:
- other: QSAR analysis
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
- Principles of method if other than guideline:
- QSAR
- GLP compliance:
- no
Test material
- Reference substance name:
- 9-(2,5-dihydroxyphenyl)-8-oxa-9λ⁵-phosphatricyclo[8.4.0.0²,⁷]tetradeca-1(14),2,4,6,10,12-hexaen-9-one
- EC Number:
- 619-409-6
- Cas Number:
- 99208-50-1
- Molecular formula:
- C18H13O4P
- IUPAC Name:
- 9-(2,5-dihydroxyphenyl)-8-oxa-9λ⁵-phosphatricyclo[8.4.0.0²,⁷]tetradeca-1(14),2,4,6,10,12-hexaen-9-one
- Test material form:
- solid: particulate/powder
Constituent 1
Results and discussion
Results: P0 (first parental generation)
Effect levels (P0)
- Key result
- Dose descriptor:
- other: QSAR data not specified
- Effect level:
- 0 mg/kg bw/day (nominal)
- Based on:
- not specified
- Sex:
- not specified
- Basis for effect level:
- other: QSAR - Both general fragments of DOPO-HQ are predicted negative by the TIMES ERBA +S9 model. The predictions are 100% in the model domain and correspond
Results: P1 (second parental generation)
Effect levels (P1)
- Key result
- Dose descriptor:
- other: QSAR data not specifed
- Effect level:
- 0 other: QSAR data not specified
- Based on:
- not specified
- Sex:
- not specified
- Basis for effect level:
- other: Both general fragments of DOPO-HQ (DOPO and HQ) are predicted negative by the TIMES ERBA +S9 model. The predictions are 100% in the model domain and correspond
Results: F1 generation
Effect levels (F1)
- Key result
- Dose descriptor:
- other: QSAR analysisi data snot specified
- Generation:
- F1
- Effect level:
- 0 other: QSAR data not specified
- Based on:
- not specified
- Sex:
- not specified
- Basis for effect level:
- other: Both general fragments of DOPO-HQ (DOPO and HQ) are predicted negative by the TIMES ERBA +S9 model. The predictions are 100% in the model domain and correspond
Overall reproductive toxicity
- Key result
- Reproductive effects observed:
- not specified
- Lowest effective dose / conc.:
- 15 mg/kg bw/day (nominal)
- Treatment related:
- not specified
Applicant's summary and conclusion
- Conclusions:
- Conclusions on reproductive toxicity:
Both general fragments of DOPO-HQ (DOPO and HQ) are predicted negative by the TIMES ERBA +S9 model.
The predictions are 100% in the model domain and correspond to the experimental data available in TB. This ensure the reliability of the predictions.
The target chemical is predicted negative based on RA prediction with the experimental ERBA data for DOPO and HQ. - Executive summary:
Endocrine disruptors are one group of substances that may be toxic to reproduction. Therefore the estrogen binding affinities (ERBA) of both general fragments of DOPO-HQ are examined. The ERBA assessments are performed by employing TIMES model and QSAR TBsoftware.
The TIMESEstrogen Binding Affinity S9 activatedmodel estimates thein vitrorelative binding affinity of chemicals to interact with the human/trout estrogen receptor. TIMESin vitroERBA model usesin vitrorat liver microsomal/S9 simulator to predict the metabolic activation of chemicals.
Both analyzed fragments (HQ and DOPO) are predicted asnegativeby the TIMES ERBA model. Both predictions are 100% in the model applicability domain.
Relative ERBA experimental data for HQ and DOPO are available in TB. They are used to predict the target chemical. The ERBA (Recombinant human estrogen receptor) of the DOPO-HQ is predicted to0%(i.e. Not active) (Figure 8 in the attached full repoport).
Additional NOEL/NOAEL data for HQ is available in TB(see Table 3 below). It was reported that the HQ did not produce dominant lethality as evidenced by examination of the reproductive indices following mating to untreated virgin females during the two weeks immediately following the final treatment.
Table 3. Experimental NOEL/NOAL data for toxicity to reproduction of HQ
HQ
Exp. data
Toolbox database
NOEL
100 mg/kg bdwt/d
ECHA CHEM
300 mg/kg bdwt/d
ECHA CHEM
NOAEL
15 mg/kg bdwt/d
ECHA CHEM
150 mg/kg bdwt/d
ECHA CHEM
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