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Ecotoxicological information

Short-term toxicity to aquatic invertebrates

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Reference
Endpoint:
short-term toxicity to aquatic invertebrates
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from computational model developed by USEPA
Reference:
Composition 0
Qualifier:
according to
Guideline:
other: Modeling database
Principles of method if other than guideline:
ECOSAR estimates log Kow values using the US EPA's KOWWIN Program for aquatic toxicity.Toxicity of a chemical was measured on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program based upon the octanol /water partition coefficient (Kow). Data from ECOSAR class,neutral organics was used.The estimation methods in EPI Suite™ have been developed by government, academic, and private sector researchers over many years and represent some of the best techniques currently available. The intended application domain of EPI Suite is organic chemicals, and inorganic as well as organometallic chemicals generally can be considered outside the domain.
GLP compliance:
no
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material (IUPAC name): (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one- Common name: Menthone - Molecular formula: C10H18O- Molecular weight: 154.2512 g/mol- Smiles notation: C1([C@@H](CC[C@@H](C1)C)C(C)C)=O- InChl: 1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3- Substance type: Organic- Physical state: Liquid
Analytical monitoring:
not specified
Details on sampling:
No data available
Vehicle:
not specified
Details on test solutions:
No data available
Test organisms (species):
Daphnia magna
Details on test organisms:
No data available
Test type:
not specified
Water media type:
not specified
Total exposure duration:
48 h
Remarks on exposure duration:
No data available
Post exposure observation period:
No data available
Hardness:
No data available
Test temperature:
No data available
pH:
No data available
Dissolved oxygen:
No data available
Salinity:
No data available
Conductivity:
No data available
Nominal and measured concentrations:
No data available
Details on test conditions:
No data available
Reference substance (positive control):
not specified
Key result
Duration:
48 h
Dose descriptor:
LC50
Effect conc.:
12.905 mg/L
Nominal / measured:
estimated
Conc. based on:
test mat.
Basis for effect:
mortality
Remarks on result:
other: Neutral Organics (ECOSAR)
Details on results:
No data available
Results with reference substance (positive control):
No data available
Reported statistics and error estimates:
No data available
Validity criteria fulfilled:
not specified
Conclusions:
On the basis of EPI suite, ECOSAR version 1.11, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 12.905 mg/l for menthone in 48 hrs. Based on this value it can be concluded that the substance is considered to be toxic to aquatic environment and can be classified in aquatic chronic 3 category as per the criteria mentioned in CLP regulation.
Executive summary:

Based on the prediction done by EPI suite, ECOSAR version 1.11, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of this program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 12.905 mg/l for CAS name menthone in 48 hrs. Based on this value it can be concluded that the substance is considered to be toxic to aquatic environment and can be classified in aquatic chronic 3 category as per the criteria mentioned in CLP regulation.

Description of key information

Based on the prediction done by EPI suite, ECOSAR version 1.11, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of this program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 12.905 mg/l for CAS name menthone in 48 hrs. Based on this value it can be concluded that the substance is considered to be toxic to aquatic environment and can be classified in aquatic chronic 3 category as per the criteria mentioned in CLP regulation.

Key value for chemical safety assessment

EC50/LC50 for freshwater invertebrates:
12.905 mg/L

Additional information

Based on the various data for the target chemical study have been reviewed to determine toxic nature of menthone (89-80-5) (2R, 5S)-5-methyl-2-(propan-2-yl) cyclohexan-1-one on the growth and other activity of daphnia magna. The studies are as mentioned below: 

 

In the first weight of evidence study for target chemical menthone toxicity was measured according to the ECOSAR. Based on the prediction done by EPI suite, ECOSAR version 1.11, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of this program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 12.905 mg/l for CAS name menthone in 48 hrs. Based on this value it can be concluded that the substance is considered to be toxic to aquatic environment and can be classified in aquatic chronic 3 category as per the criteria mentioned in CLP regulation.

 

First study was supported by another study which was conducted for read across chemical from secondary sources. Short term toxicity study of test chemical on the growth of daphnia magna was carried out for 24 hrs. Various nominal concentration was used in the study 250 mg/l, 125 mg/l, 63 mg/l, 31 mg/l, 15.7 mg/l, 7.8 mg/l, 4.0 mg/l, 2.0 mg/l. Stock solution, 300 mg/l was weighed into water and after treatment with an Ultra-Turrax for 60 sec., stirred on a magnetic stirrer for two hours. In order to avoid uneven distribution of undissolved particles, the solution was kept in movement when preparing the test concentrations. 2 replicates with test substance, and 2 replicates with reference substance, 10 individuals in each test. After the 24 hrs of exposure EC0, EC50 and EC100 value was observed. Based on the immobilization of daphnia magna by the test chemical, the EC0 was 15.7 mg/l, EC50 was 71 mg/l, and EC100 was 125 mg/l. Based on the EC50, chemical was consider as toxic and can be consider as classified in aquatic chronic category 3 as per the CLP classification criteria.

 

Similarly in the third weight of evidence study for another RA chemical supports the toxic nature of chemical. Study was conducted to investigate the effect of chemical when comes in contact with test organism daphnia magna for 48 hrs by using different concentrations of chemical. Test conducted in accordance with OECD guideline 202. Chemical analytically monitored by GC. The test substance was pulverized. A stock solution was prepared to give the desired series of test concentrations. To achieve this 119.9 mg of the test substance were added to 1 liter of dilution water and treated for 1 hour in an ultrasonic bath and afterwards stirred for 24 hours on a magnetic stirrer. Finally undissolved particles of the test substance were removed by filtration using a folded filter of pore size 7 - 12 μm. 3.2, 6.3, 12.5, 25, 50 and 100 mg/l nominal concentrations were used. 20 ml of test medium was added in the vessel which includes 10 neonates. The criterion of adverse effects used in this study was the substance-induced alteration of the normal mobility behavior and the loss of locomotory actions of the neonates, observed at 24 and 48 h. After the exposure of 48 hrs, EC50 was observed at 26.6 mg/l. And the 100 % immobility were observed at 92.35 mg/l. Based on the EC50, chemical was consider as toxic and can be consider to be classified in aquatic chronic category 3 as per the CLP classification criteria.

 

Based on the data from various databases and reports for target menthone (89-80-5) and read across chemicals, menthone concluded as toxic and can be consider to be classified as aquatic chronic 3 category as per mention in CLP classification criteria.