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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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Administrative data

Endpoint:
short-term toxicity to aquatic invertebrates
Type of information:
(Q)SAR
Remarks:
Trend analysis; QSAR Toolbox 4.5
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Justification for type of information:
1. SOFTWARE
QSAR-Toolbox
2. MODEL (incl. version number)
4.4
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CAS: 5393-81-7
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
- Defined endpoint: Environmental Hazards -> Short-term Aquatic Toxicity invertebrates (EC50)
- Unambiguous algorithm: Linear approximation from structurally similar substances
- Defined domain of applicability: Please refer to the attached assessment under 'attached justification'
- Appropriate measures of goodness-of-fit and robustness and predictivity: Please refer to the attached assessment under 'attached justification'

5. APPLICABILITY DOMAIN
Please refer to the attached assessment under 'attached justification'

6. ADEQUACY OF THE RESULT
Please refer to the attached assessment under 'attached justification'

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2022
Report date:
2021

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
Trend analysis; QSAR Toolbox 4.5
GLP compliance:
no
Remarks:
Trend analysis

Test material

1
Chemical structure
Reference substance name:
2-hydroxydecanoic acid
EC Number:
611-068-1
Cas Number:
5393-81-7
Molecular formula:
C10-H20-O3
IUPAC Name:
2-hydroxydecanoic acid
Test material form:
solid
Details on test material:
Purity: 98.5%

Results and discussion

Effect concentrations
Key result
Duration:
48 h
Dose descriptor:
EC50
Effect conc.:
ca. 140 mg/L

Applicant's summary and conclusion

Conclusions:
Based on the present trend analysis performed with the OECD QSAR Toolbox 4.4 the EC50 for short-term aquatic toxicity to invertebrates was predicted to be 140 mg/L.
Executive summary:

The EC50 for short-term aquatic toxicity to invertebrates of 2-Hydroxydecanoic Acid was estimated by a linear approximation based on structurally similar substances. A trend analysis was performed with the QSAR Toolbox 4.5. The EC50 for short-term aquatic toxicity to invertebrates was predicted to be 140 mg/L. The substance does not need to be classified according to Regulation (EU) No. 1272/2008 (CLP).