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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Short-term toxicity to aquatic invertebrates

Administrative data

Endpoint:
short-term toxicity to aquatic invertebrates
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Validated QSAR model. Calculation for 4-tert-butylcyclohexanone. Its validity has been proven for the domain of application “neutral organics” which is relevant for the substance.
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2012
Report date:
2012

Materials and methods

Principles of method if other than guideline:
Calculation based on ECOSAR v1.00, Estimation Programs Interface Suite™ for Microsoft® Windows v 4.10. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
4-tert-butylcyclohexanone
EC Number:
202-678-5
EC Name:
4-tert-butylcyclohexanone
Cas Number:
98-53-3
Molecular formula:
C10H18O
IUPAC Name:
4-tert-butylcyclohexan-1-one
Details on test material:
- Name of test material (as cited in study report): 4-tert-butylcyclohexanone
- Molecular formula: C10H18O
- Molecular weight: 154.3 g/mole
- Smiles notation: C1CC(=O)CCC1C(C)(C)C
- Analytical purity: not applicable

Test organisms

Test organisms (species):
Daphnia sp.

Study design

Test type:
not specified
Water media type:
freshwater
Total exposure duration:
48 h

Results and discussion

Effect concentrations
Duration:
48 h
Dose descriptor:
LC50
Effect conc.:
12.234 mg/L
Conc. based on:
test mat.
Basis for effect:
mortality

Any other information on results incl. tables

For detailed description on the model and its applicability, see 'Any other information on materials and methods incl. tables'.

Applicant's summary and conclusion