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EC number: 610-461-5 | CAS number: 495-61-4
Toxicity to aquatic algae and cyanobacteria
Administrative data
- Endpoint:
- effects on growth of green algae
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- November 2021
- 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 limited documentation / justification
- Remarks:
- Scientifically accepted calculation method; substance within applicability domain of the models
- Justification for type of information:
- 1. SOFTWARE
Estimation Programs Interface (EPI) Suite for Microsoft Windows, v4.11 (US EPA, 2012)
2. MODEL (incl. version number)
ECOSAR v1.11
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See section 'Test Material'.
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached QMRF.
5. APPLICABILITY DOMAIN
See attached QPRF.
6. ADEQUACY OF THE RESULT
- The model is scientifically valid (see attached QMRF).
- The model estimates the toxicity to aquatic organisms: Daphnids: 48-h EC50; this data can be used to support the assessment regarding the toxicity of a substance to
aquatic organisms (see also attached QPRF).
Data source
Referenceopen allclose all
- Reference Type:
- other: Estimation software
- Title:
- ECOlogical Structure-Activity Relationship Model (ECOSAR) Class Program v1.11
- Author:
- US EPA
- Year:
- 2 012
- Bibliographic source:
- United States Environmental Protection Agency, Washington, DC, USA; November 2012
- Reference Type:
- other: ECOSAR calculation
- Title:
- ECOSAR v1.11: CAS 495-61-4 (Green Algae)
- Author:
- BASF SE
- Year:
- 2 021
- Bibliographic source:
- ECOSAR v1.11, United States Environmental Protection Agency, Washington, DC, USA.
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- ECOSAR v1.11: Estimation of acute and chronic toxicity to green algae for chemical class "Neutral Organic SAR (Baseline Toxicity)"
- GLP compliance:
- no
Test material
- Reference substance name:
- (4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene
- EC Number:
- 610-461-5
- Cas Number:
- 495-61-4
- Molecular formula:
- C15H24
- IUPAC Name:
- (4S)-1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene
Constituent 1
Sampling and analysis
- Analytical monitoring:
- no
Test organisms
- Test organisms (species):
- other: green algae
Study design
- Water media type:
- freshwater
- Total exposure duration:
- 96 h
Results and discussion
Effect concentrationsopen allclose all
- Dose descriptor:
- other: Chronic Value (ChV)
- Effect conc.:
- 0.015 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- act. ingr.
- Remarks on result:
- other: ECOSAR chemical class: "Neutral Organic SAR (Baseline Toxicity)" The substance is within the applicability domain of the model
- Key result
- Duration:
- 96 h
- Dose descriptor:
- EC50
- Effect conc.:
- 0.02 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- act. ingr.
- Remarks on result:
- other: ECOSAR chemical class: "Neutral Organic SAR (Baseline Toxicity) The substance is within the applicability domain of the model
- Details on results:
- The substance is within the applicability domain of the model
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Executive summary:
Model:
ECOSAR v1.11, ECOSAR class: Neutral Organics
Test type:
Green algae 96-h EC50
Substance name:
CYCLOHEXENE,
1-METHYL-4-(5-METHYL-1-METHYLENE-4-HEXENYL)-, (S)-
CAS No.
495-61-4
SMILES
C(CC(C1)C(=C)CCC=C(C)C)=C(C1)C
Type
organic substance
Molecular weight
204,36
g/mol
Water solubility
9,95E-03
mg/L
Physical state
not solid
log Kow
7,12
Substance type
Substance within applicability domain
Molecular weight
max. value:
1000 g/mol
Substance within applicability domain
Model
log Kow
Assessment regarding maximum values
Max. log Kow
Green algae 96-h EC50
Max. log Kow of 6,4 exceeded.
6,4
Model
Water solubility
Assessment regarding effects at saturation
log
Green algae 96-h EC50
No effects at saturation are predicted.
-4,003
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