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Short-term toxicity to aquatic invertebrates

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Endpoint:
short-term toxicity to aquatic invertebrates
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
February - March 2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
comparable to guideline study with acceptable restrictions
Remarks:
Ecotoxicity by QSAR based on the substance constituents
Justification for type of information:
No experimental study has been performed but reliable QSAR: please refer to Attached Justification enclosed document.
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
QSAR model adapted specifically from test guideline: OECD 202, EU C.2
Key result
Duration:
48 h
Dose descriptor:
EC50
Effect conc.:
ca. 0.004 mg/L
Details on results:
95% confidence limits (mg test item.L-1): 0.0020 – 0.0068
Validity criteria fulfilled:
yes
Remarks:
see QRMF and QRPF
Conclusions:
Daphnia EC50 = 0,0037mg test item/L-1
Executive summary:

Prediction for OECD 202 test results by Holistic HA QSAR iSaferat

model: Daphnia EC50 = 0,0037mg test item/L of benzyltetradecyldimethylammonium bromide

Endpoint:
short-term toxicity to aquatic invertebrates
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
February - March 2018
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
comparable to guideline study with acceptable restrictions
Remarks:
Ecotoxicity by QSAR based on the substance constituents
Justification for type of information:
No experimental study has been performed but reliable QSAR: please refer to Attached Justification enclosed document
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
QSAR model adapted specifically from test guideline: OECD 202, EU C.2
Key result
Duration:
48 h
Dose descriptor:
EC50
Effect conc.:
ca. 0.025 mg/L
Details on results:
95% confidence limits (mg test item.L-1): 0.013 – 0.045
Validity criteria fulfilled:
yes
Remarks:
see QRMF and QPRF
Conclusions:
Daphnia EC50= 0,025mg/L
Executive summary:

Prediction for OECD 202 test result by Holistic HA-QSAR iSafeRat model

Daphnia EC50 = 0,025 mg/L of Benzyldodecyldimethylammonium bromide

Description of key information

Prediction for OECD 202 test results by Holistic HA QSAR iSaferat model:

- Daphnia EC50 = 0,0037mg test item/L of benzyltetradecyldimethylammonium bromide

- Daphnia EC50 = 0,025 mg/L of Benzyldodecyldimethylammonium bromide

Worst case approach is chosen for classification: EC50 of 0,0037 mg/L is chosen for classification (Acute aquatic toxicity category 1 with M factor of 100).

Key value for chemical safety assessment

EC50/LC50 for freshwater invertebrates:
0.004 mg/L

Additional information