Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2014
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: A QSAR model, ECOSAR was used to estimate short-term toxicity to fish.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2014
Report date:
2014

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
The QSAR model, Ecological Structure Activity Relationships (ECOSAR) Class Program was used to estimate the short-term toxicity to fish.
GLP compliance:
no

Test material

Constituent 1
Reference substance name:
2-methyl decanoic acid
IUPAC Name:
2-methyl decanoic acid
Details on test material:
SMILES notation used: O=C(O)C(CCCCCCCC)C

Sampling and analysis

Analytical monitoring:
not required

Test organisms

Test organisms (species):
other: fish

Study design

Water media type:
freshwater

Results and discussion

Effect concentrations
Duration:
96 h
Dose descriptor:
LC50
Effect conc.:
10.378 mg/L
Basis for effect:
mortality (fish)

Applicant's summary and conclusion

Validity criteria fulfilled:
not applicable
Conclusions:
Using a reliable QSAR model, Ecological Structure Activity Relationships (ECOSAR) Class Program was used to estimate the 96hr LC50 for fish to be 1378 mg/L.
Executive summary:

A reliable QSAR model (Ecological Structure-Activity Relationship (ECOSAR) version 1.00) was used to predict the acute aquatic toxicity of 2 -methyl decanoic acid to fish. The 96 hour LC50’s were 10.383 mg/L.