Registration Dossier

Diss Factsheets

Classification & Labelling & PBT assessment

PBT assessment

Currently viewing:

Administrative data

PBT assessment: overall result

Reference
Name:
O,O,O-tris(2(or 4)-C9-10-isoalkylphenyl) phosphorothioate
Type of composition:
legal entity composition of the substance
State / form:
liquid
Reference substance:
O,O,O-tris(2(or 4)-C9-10-isoalkylphenyl) phosphorothioate
Reference substance:
O,O,O-tris(2(or 4)-C9-10-isoalkylphenyl) phosphorothioate
Reference substance:
O,O,O-tris(2(or 4)-C9-10-isoalkylphenyl) phosphorothioate
Reference substance:
O,O,O-tris(2(or 4)-C9-10-isoalkylphenyl) phosphorothioate
Reference substance:
O,O,O-tris(2(or 4)-C9-10-isoalkylphenyl) phosphorothioate
Reference substance:
O,O,O-tris(2(or 4)-C9-10-isoalkylphenyl) phosphorothioate
Reference substance:
O,O,O-tris(2(or 4)-C9-10-isoalkylphenyl) phosphorothioate
PBT status:
the substance is not PBT / vPvB
Justification:

Regarding all available data on biotic and abiotic degradation, bioaccumulation and toxicity it can be stated that the substances do not fulfill the PBT criteria (not PBT) and not the vPvB criteria (not vPvB) as set out in Annex XIII of the REACH legislation.


 


PBT / vPvB - Assessment for metabolites of O,O,O-tris(2(or 4)-C9-10-isoalkylphenyl) phosphorothioate:


 


ECHA Guidance on information requirements and chemical safety assessment (v3.0, June 2017), Chapter R.11.4.1 specifies that “Constituents, impurities and additives should normally be considered relevant for the PBT/vPvB assessment when they are present in concentration of ≥ 0.1% (w/w)” […] “Similar arguments apply to relevant transformation/degradation products”.


 


In an OECD 308 study two possible degradation products > 0.1% (w/w) could be identified. Tris(nonylphenyl)phosphat (CAS 26569-53-9) as well as Nonylphenol branched (CAS 84852-15-3)


 


Persistence (“P/vP”):


 


Tris(nonylphenyl)phosphat (CAS 26569-53-9)


 


Since no experimental data was available, in order to assess the biodegradation potential of Tris(nonylphenyl)phosphat, the (Q)SAR model CATALOGIC 301C v11.16 – (OASIS CATALOGIC v5.14.1.5) was applied. The degradation based on biological oxygen demand was determined to be 4% with a ultimate half-life of 1 year 3 months and 29 days. While the substance does not fulfill the criteria for "ready biodegradability" and can be considered "poorly biodegradable", a final assessment of the "P/vP" property is not possible. Predicted quantification of potential metabolites of Tris(nonylphenyl)phosphat indicate a fast primary degradation to Nonylphenol (see QPRF below).


 


The substance fullfilled the general properties requierments for the applicability domains except for the structural fragment domain due to 8.57% of fragments that are not present in the training set. Hence, the estimation can be considered reliable.


 


4-Nonylphenol branched (CAS 84852-15-3)


 


Although Nonylphenol (NP) does not meet the stringend criteria for ready biodegradability (10 day window), significant biodegradation was seen after 28 days (53 and 62%) in two ready biodegradation tests. It was concluded that NP is inherently biodegradable and therefore should not be regarded as potentially persistent. There is evidence from other tests that NP will undergo substantial biodegradation in surface water and soil, possibly after a period of adaption. Half-lives for biodegradation in soil of 300 days and surface water of 150 days have been estimated. The estimated half-lives are thought to be representative of the worst case for mineralization of NP. However, given that biodegradation of NP depends on several factors, acutal half-lives could be different than the estimated values depending on the actual conditions present. (EU RAR, 2002)


 


It is concluded that NP does not meet the P criterion.


 


Bioaccumulation (“B/vB”):


 


Tris(nonylphenyl)phosphat (CAS 26569-53-9)


 


Since no experimental data regarding the bioaccumulation potential of Tris(nonylphenyl)phosphat (CAS 26569-53-9) was available the bioconcentrationfactor (BCF) was predicted by the QSAR model BCFBAF v3.01 (EPISUITE v4.11). The regression-based estimate calculated a BCF of 3.16 L/kg wet weight while the Arnot-Gobas model predicted a BCF of 0.893 L/kg wet weight and a BAF of 0.90 L/kg wet weight  (upper trophic, including biotransformation). The results are well below the "B" and "vB" criteria according to REACH Annex XIII section 1.1.2 (BCF > 2000) and 1.2.2 (BCF > 5000). The predicted log Kow (17.7, KOWWIN v1.68, EPISUITE v4.11) was outside the range of the trainings set of both models, so the estimate may be less accurate. However, evaluation of BCF-log Kow correlation with data from CEFIC LRI database showed that the potential for bioaccumulation decreases for subtances with a log Kow > 10 and BCFs for those substances are < 2000. (Nendza and Müller, 2007)


 


Additionally an estimation with the BCF Base-line model v04.11 (OASIS Catalogic v5.14.1.5) was performed which resulted in a log BCF of 0.85 L/kg wet weight or a BCF of 7.98 L/kg confirming the results from the BCFBAF model. The substance fullfilled the general properties requierments for the applicability domains except for the structural fragment domain due to 8.57% of fragments that are not present in the training chemicals. Hence, the estimation can be considered reliable.


 


Further the bioavailability of the substance and consequently the bioaccumulation potential is limited by the very low water solubility (2.55E-14 mg/L, EPISuite WSKowwin v1.43). Additionally due to the high log Kow (17.7) and log Koc (10.6, KOCWIN v2.00, EPISUITE v4.11) the substance, similar to the parent compound, is expected to adsorb quickly to the sediment and distribution of the substance in the water phase is expected to be neglegible.


 


It can be concluded that the substance does not meet the "B" or "vB" criterion.


 


4-Nonylphenol branched (CAS 84852-15-3)


 


Available data indicate that NP accumulates to a significant extent in aquatic organisms with BCFs of up to 1300 in fish based on a fresh weight basis. It should be noted that this value may over estimate the BCF since fish are known to metabolise NP and more reliable values with a mean of 741 have been measured. However, a BCF in the range of 1300 is below the cut-off level for bioaccumulation (BCF > 2000). Based on the log Kow of 4.48, NP just fails to meet the screening B criterion and the BCF esetimated using this value is 1280 which is in good accordance with the experimental value of 1300 (EU RAR, 2002).


 


It can be concluded that the substance does not meet the "B" or "vB" criterion.


 


Toxicity (“T”)


 


Tris(nonylphenyl)phosphat (CAS 26569-53-9)


 


Since no experimental data regarding the toxicity of Tris(nonylphenyl)phosphat (CAS 26569-53-9) was available the bioconcentrationfactor was predicted by the QSAR model ECOSAR v1.11 (EPISUITE v4.11). The model estimated no effects to alge, daphnid and fish up to the limit of water solubility (2.55E-14 mg/L, EPISuite WSKowwin v1.43). Although the individual equations may not have been not built using chemicals with log Kow values greater than 5.0 and 8.0 respectively, the model can still make accurate qualitative determination of potential toxicity under environmental conditions for chemicals outside the log Kow descriptor domain. (Mayo-Bean et al. 2012)


 


On the basis of the available data for this substance, the T-criterion is considered to be not fulfilled.


 


4-Nonylphenol branched (CAS 84852-15-3)


 


Acute and chronic toxicity data for NP are available for fish, invertebrates and algae species. A NOEC of 0.0033 mg/L was reported for NP in a 72-hour toxicity test with the freshwater alge Scenedesmus suspicatus. Additionally endocrine effects have been confirmed for NP (EU RAR, 2002).


 


On the basis of the available data for this substance, the T-criterion is considered to be fulfilled.


 


 


For corresponding QSAR documentation, see documents attached below.


 


 


 


References


European Union Risk Assessment Report (2002) 4-Nonylphenol (branched) and nonylphenol, CAS Nos: 84852-15-3 and 25154-52-3. European Communities 2002, EUR 20387 EN


Mayo-Bean K., Moran K., Meylan B., Ranslow P. (2012) Methology document for the Ecological Structure-Activity Relationship (ECOSAR) class programm


Nendza M., Müller M. (2007) Einfluss von Lipophilie und Molekülgröße auf das Biokonzentrationspotenzial von Umweltchemikalien


 


 


 


 


 


 


 

Likely routes of exposure:

Because the substance does not fulfill the PBT and vPvB criteria, no emission characterisation is performed.

Categories Display