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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Ecotoxicological information

Toxicity to aquatic algae and cyanobacteria

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Administrative data

Endpoint:
toxicity to aquatic algae and cyanobacteria
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
Justification for type of information:
Documentation about the justification is provided in attachment (See Supporting information). The reliability assessment of the prediction is presented in the attached document as well (QPRF). QSAR model reporting format is presented in the file QMRF attached.

Data source

Reference
Reference Type:
other: QSAR model
Title:
VEGA in silico platform
Year:
2022
Bibliographic source:
Algae Acute (EC50) Toxicity model (ProtoQSAR/Combase) 1.0.1

Materials and methods

Test guideline
Qualifier:
equivalent or similar to guideline
Guideline:
other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.

Test material

Constituent 1
Chemical structure
Reference substance name:
Methyl (8,9,10-trinorborn-5-en-2-yl) ketone
EC Number:
225-767-0
EC Name:
Methyl (8,9,10-trinorborn-5-en-2-yl) ketone
Cas Number:
5063-03-6
Molecular formula:
C9H12O
IUPAC Name:
1-{bicyclo[2.2.1]hept-5-en-2-yl}ethan-1-one
Specific details on test material used for the study:
O=C(C)C2CC1C=CC2(C1)

Results and discussion

Effect concentrations
Key result
Duration:
72 h
Dose descriptor:
EC50
Effect conc.:
70.97 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Remarks on result:
other:
Remarks:
Predicted by ProtoQSAR/Combase v.1.0.0

Any other information on results incl. tables

The prediction was deemed to be reliable on the basis of the parameters listed above. The molecule falls into the applicability domain of the model.

Applicant's summary and conclusion

Validity criteria fulfilled:
yes
Conclusions:
The substance was predicted to have a EC50 of 70.97 mg/L for Algae.