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Toxicity to aquatic algae and cyanobacteria

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Endpoint:
toxicity to aquatic algae and cyanobacteria
Remarks:
ErC50 at 96h
Type of information:
(Q)SAR
Adequacy of study:
key study
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 adequate and reliable documentation / justification
Remarks:
QSAR
Justification for type of information:
Executive summary: The 72h acute algae ErC50 for the neutral organic substance Peomosa (2-(2-methylphenyl)ethanol) is predicted to be 39.47 mg/L based on the ECOSAR SAR for neutral organics using a partition coefficient (Log Kow) of 2.11, a molecular weight (MW) of 136.19 and the equation: 96h ErC50(mg/L) = MW x 10^ (-0.6922 Log Kow + 0.9253). Peomosa is in the applicability domain of the ECOSAR prediction because: a) Peomosa is a neutral organic presenting the toxicity solely by its bioavailability (i.e. without fragments that activate this neutral organic); b) its predicted Log Kow is 2.11 (measured 2.1) (=< 6.4); c) its MW is 136.19 (< 1000); and d) the toxicity predicted is below its water solubility which is 12339 mg/l. The fit in the applicability domain and the availability of an analogue in the training set results in limited uncertainty of the Peomosa prediction. This shows that the prediction is reliable and a Klimisch 2 can be assigned. In accordance with REACH Annex XI, the validity of the (Q)SAR is documented in a QMR for acute algae toxicity on neutral organics (see attached report). The adequate and reliable documentation, presented in the attached file in the study record, further supports this prediction.
Guideline:
other: REACH Guidance R.6: QSARs and grouping of chemicals. Version May 2008.
GLP compliance:
no
Test organisms (species):
other: green algae
Water media type:
freshwater
Total exposure duration:
96 h
Key result
Dose descriptor:
EC50
Effect conc.:
39.47 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
growth rate
Remarks on result:
other: ECOSAR class: Neutral organics
Details on results:
The ErC50 is 39.47 mg/L
Validity criteria fulfilled:
yes
Remarks:
The substance is in the applicability domain of the model.
Conclusions:
The 96h-ErC50 is 39.47 mg/L.
Executive summary:

Executive summary: The 72h acute algae ErC50 for the neutral organic substance Peomosa (2-(2-methylphenyl)ethanol) is predicted to be 39.47 mg/L based on the ECOSAR SAR for neutral organics using a partition coefficient (Log Kow) of 2.11, a molecular weight (MW) of 136.19 and the equation: 96h ErC50(mg/L) = MW x 10^ (-0.6922 Log Kow + 0.9253). Peomosa is in the applicability domain of the ECOSAR prediction because: a) Peomosa is a neutral organic presenting the toxicity solely by its bioavailability (i.e. without fragments that activate this neutral organic); b) its predicted Log Kow is 2.11 (measured 2.1) (=< 6.4); c) its MW is 136.19 (< 1000); and d) the toxicity predicted is below its water solubility which is 12339 mg/l. The fit in the applicability domain and the availability of an analogue in the training set results in limited uncertainty of the Peomosa prediction. This shows that the prediction is reliable and a Klimisch 2 can be assigned. In accordance with REACH Annex XI, the validity of the (Q)SAR is documented in a QMR for acute algae toxicity on neutral organics (see attached report). The adequate and reliable documentation, presented in the attached file in the study record, further supports this prediction.

Endpoint:
toxicity to aquatic algae and cyanobacteria
Remarks:
EC10/NOEC
Type of information:
(Q)SAR
Adequacy of study:
key study
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 adequate and reliable documentation / justification
Remarks:
Rel 2 is assigned because of the method being a QSAR
Justification for type of information:
Executive summary: The chronic algae ChV for the neutral organic substance Peomosa (2-(2-methylphenyl)ethanol) is predicted to be 10.58 mg/L based on the ECOSAR SAR for neutral organics using a partition coefficient (Log Kow) of 2.11, a molecular weight (MW) of 136.19 and the equation: 96h-ChV(mg/L) = MW x 10^ (-0.6029 Log Kow + 0.1648).
Peomosa is in the applicability domain of the ECOSAR prediction because: a) Peomosa is a neutral organic presenting the toxicity solely by its bioavailability (i.e. without fragments that activate this neutral organic); b) its predicted Log Kow is 2.11 (measured 2.1) (=< 8.0); c) its MW is 136.19 (< 1000); and d) the toxicity predicted is below its water solubility which is 12339 mg/l.
The fit in the applicability domain and the availability of an analogue in the training set results in limited uncertainty of the Peomosa prediction. This shows that the prediction is reliable and a Klimisch 2 can be assigned. In accordance with REACH Annex XI, the validity of the (Q)SAR is documented in a QMR for chronic algae toxicity on neutral organics (see attached report). The adequate and reliable documentation, presented in the attached file in the study record further supports this prediction.
Qualifier:
according to
Guideline:
other: REACH guidance R.6
Test organisms (species):
other: Green algae
Water media type:
freshwater
Key result
Dose descriptor:
EC10
Effect conc.:
10.58 mg/L
Nominal / measured:
not specified
Conc. based on:
test mat.
Basis for effect:
growth rate
Remarks on result:
other: EC10 is based on the equivalent ChV (chronic value in ECOSAR)
Validity criteria fulfilled:
yes
Remarks:
The substance is in the applicability domain of the model.
Conclusions:
The EC10/NOEC is 10.58 mg/L
Executive summary:

Executive summary: The chronic algae ChV for the neutral organic substance Peomosa (2-(2-methylphenyl)ethanol) is predicted to be 10.58 mg/L based on the ECOSAR SAR for neutral organics using a partition coefficient (Log Kow) of 2.11, a molecular weight (MW) of 136.19 and the equation: 96h-ChV(mg/L) = MW x 10^ (-0.6029 Log Kow + 0.1648).

Peomosa is in the applicability domain of the ECOSAR prediction because: a) Peomosa is a neutral organic presenting the toxicity solely by its bioavailability (i.e. without fragments that activate this neutral organic); b) its predicted Log Kow is 2.11 (measured 2.1) (=< 8.0); c) its MW is 136.19 (< 1000); and d) the toxicity predicted is below its water solubility which is 12339 mg/l.

The fit in the applicability domain and the availability of an analogue in the training set results in limited uncertainty of the Peomosa prediction. This shows that the prediction is reliable and a Klimisch 2 can be assigned. In accordance with REACH Annex XI, the validity of the (Q)SAR is documented in a QMR for chronic algae toxicity on neutral organics (see attached report). The adequate and reliable documentation, presented in the attached file in the study record further supports this prediction.

Description of key information

The 96h acute algae ErC50 for the neutral organic substance Peomosa is predicted to be 39.47 mg/L based on the ECOSAR SAR for neutral organics using a partition coefficient (Log Kow) of 2.11,a molecular weight (MW) of 136.19 and the equation: 96h ErC50(mg/L) = MW x 10^(-0.6922 Log Kow + 0.9253).

The chronic algae ErC10 for the neutral organic substance Peomosa is predicted to be 10.58 mg/L based on the ECOSAR SAR for neutral organics using a partition coefficient (Log Kow) of 2.11,a molecular weight (MW) of 136.19 and the equation: 96h-ChV(mg/L) = MW x 10^ (-0.6029 Log Kow + 0.1648).

Key value for chemical safety assessment

EC50 for freshwater algae:
39.47 mg/L
EC10 or NOEC for freshwater algae:
10.58 mg/L

Additional information

The 72h acute algae ErC50 for the neutral organic substance Peomosa (2-(2-methylphenyl)ethanol) is predicted to be 39.47 mg/L based on the ECOSAR SAR for neutral organics using a partition coefficient (Log Kow) of 2.11, a molecular weight (MW) of 136.19 and the equation: 96h ErC50(mg/L) = MW x 10^ (-0.6922 Log Kow + 0.9253). Peomosa is in the applicability domain of the ECOSAR prediction because: a) Peomosa is a neutral organic presenting the toxicity solely by its bioavailability (i.e. without fragments that activate this neutral organic); b) its predicted Log Kow is 2.11 (measured 2.1) (=< 6.4); c) its MW is 136.19 (< 1000); and d) the toxicity predicted is below its water solubility which is 12339 mg/l. The fit in the applicability domain and the availability of an analogue in the training set results in limited uncertainty of the Peomosa prediction. This shows that the prediction is reliable and a Klimisch 2 can be assigned. In accordance with REACH Annex XI, the validity of the (Q)SAR is documented in a QMR for acute algae toxicity on neutral organics (see attached report). The adequate and reliable documentation, presented in the attached file in the study record, further supports this prediction.

The chronic algae ChV for the neutral organic substance Peomosa (2-(2-methylphenyl)ethanol) is predicted to be 10.58 mg/L based on the ECOSAR SAR for neutral organics using a partition coefficient (Log Kow) of 2.11, a molecular weight (MW) of 136.19 and the equation: 96h-ChV(mg/L) = MW x 10^ (-0.6029 Log Kow + 0.1648).

Peomosa is in the applicability domain of the ECOSAR prediction because: a) Peomosa is a neutral organic presenting the toxicity solely by its bioavailability (i.e. without fragments that activate this neutral organic); b) its predicted Log Kow is 2.11 (measured 2.1) (=< 8.0); c) its MW is 136.19 (< 1000); and d) the toxicity predicted is below its water solubility which is 12339 mg/l.

The fit in the applicability domain and the availability of an analogue in the training set results in limited uncertainty of the Peomosa prediction. This shows that the prediction is reliable and a Klimisch 2 can be assigned. In accordance with REACH Annex XI, the validity of the (Q)SAR is documented in a QMR for chronic algae toxicity on neutral organics (see attached report). The adequate and reliable documentation, presented in the attached file in the study record further supports this prediction.