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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
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EC number: 218-465-5 | CAS number: 2157-01-9
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Toxicity to aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 2017-06-20
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
OECD Toolbox 3.4.0.17 - Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: QSAR-prediction with QSAR Toolbox 3.4.0.17 Database version: 3.8.8/3.1.2
- GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES: CCCCCCCCOC(=O)C(C)=C
- Test organisms (species):
- other:
- Details on test organisms:
- Species:
Pseudokirchnerella subcapitata (reported as Selenastrum capricornutum)
Selenastrum capricornutum (new name: Pseudokirchnerella subcapitata)
other algae: Selenastrum capricornutum [now called Pseudokirchneriella subcapitata ]
Pseudokirchnerella subcapitata
Desmodesmus subspicatus - Test type:
- other: QSAR predicted value
- Total exposure duration:
- 72 h
- Duration:
- 72 h
- Dose descriptor:
- NOEC
- Effect conc.:
- 0.171 mg/L
- Nominal / measured:
- not specified
- Conc. based on:
- other: QSAR predicted value
- Basis for effect:
- growth rate
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- NOEC (72h) algae for n-octyl methacrylate predicted by QSAR TOOLBOX 3.4.0.17 database version: 3.8.8/3.1.2 from category trend analysis of 14 category members is 0.171 mg/L.
- Executive summary:
QSAR Toolbox prediction based on trend analysis
Prediction of NOEC Algae (72h) for n-octyl methacrylate
Summary
QSAR TOOLBOX 3.4.0.17 (database version: 3.8.8/3.1.2) predicted that n-octyl methacrylate has a NOEC of 0.171 mg/L (Algae: Pseudokirchneriella subcapitata; Desmodesmus subspicatus).
Toxicity of the target chemical (NOEC = 0.171 mg/L) is predicted from category members using trend analysis based
on 14 values within the range 0.0120 - 400 mg/L from 14 category members. Category members are single
chemicals or mixtures and are selected based on the profile of the target chemical. Only chemicals having
experimental data are listed in the category.
The target chemical FALLS within applicability domain of the prediction.
The data used for calculating the current prediction is taken from 22 experimental values selected from
the following database(s):
1. ECHA CHEM
NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2017-06-20
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
OECD Toolbox 3.4.0.17 - Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: QSAR-prediction with QSAR Toolbox 3.4.0.17 Database version: 3.8.8/3.1.2
- GLP compliance:
- no
- Specific details on test material used for the study:
- SMILES: CCCCCCCCOC(=O)C(C)=C
- Test organisms (species):
- other:
- Details on test organisms:
- Species:
Pseudokirchnerella subcapitata (reported as Selenastrum capricornutum)
other algae: Selenastrum capricornutum [now called Pseudokirchneriella subcapitata ]
Pseudokirchnerella subcapitata
Selenastrum capricornutum (new name: Pseudokirchnerella subcapitata)
Desmodesmus subspicatus
Scenedesmus subspicatus (new name: Desmodesmus subspicatus) - Test type:
- other: QSAR predicted value
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 1.05 mg/L
- Nominal / measured:
- not specified
- Conc. based on:
- other: QSAR predicted value
- Basis for effect:
- growth rate
- Remarks on result:
- other: QSAR predicted value
- Validity criteria fulfilled:
- yes
- Conclusions:
- EC50 (48h) Daphnia magna of n-octyl methacrylate predicted by QSAR TOOLBOX 3.4.0.17 database version: 3.8.8/3.1.2 from category trend analysis of 12 category members is 1.05 mg/l.
The predicted EC50 of 1.05 mg/L for n-octyl methacrylate is slightly above the limit for classification.
Isodecyl methacrylate and 2-ethylhexyl methacrylate are at the upper boundary of the log Kow axis close to the target chemical n-octyl methacrylete. Isodecyl methacrylate, having a higher log Kow value between 6.5 and 7.5, has an EC50 around 0.02 mg/L, but the value is less exact due to the low solubility of the substance. 2-ethylhexyl methacrylate is structural closely related to the target chemical and has a similar log Kow. The EC50 for 2-ethylhexyl methacrylate is in the range between 1 and 10 mg/L and thus underpinning the predicted value for n-octyl methacrylate of 1.05 mg/L. Nevertheless, the prediction model is showing a coefficient of determination above 0.75 and is therefore regarded as reliable. - Executive summary:
QSAR Toolbox prediction based on trend analysis
Prediction of EC50 (48h) Daphnia magna for n-octyl methacrylate
Summary
Toxicity of the target chemical (1.05 mg/L) is predicted from category members using trend analysis based on 12 values within the range 0.0169 - 110 mg/L from 12 category members. Category members are single chemicals or mixtures and are selected based on the profile of the target chemical. Only chemicals having experimental data are listed in the category.
The target chemical FALLS within applicability domain of the prediction.
The data used for calculating the current prediction is taken from 19 experimental values selected from the following database(s):
1. ECHA CHEM
NOTE: Any of data in this dataset are disseminated by the European Union on a right-to-know basis and this is not a publication in the same sense as a book or an article in a journal. The right of ownership in any part of this information is reserved by the data owner(s). The use of this information for any other, e.g. commercial purpose is strictly reserved to the data owners and those persons or legal entities having paid the respective access fee for the intended purpose.
Referenceopen allclose all
QSAR TOOLBOX 3.4.0.17 (database version: 3.8.8/3.1.2) predicted that n-octyl methacrylate has a NOEC of 0.171 mg/L (Algae: Pseudokirchneriella subcapitata; Desmodesmus subspicatus).
Toxicity of the target chemical is predicted from category members using trend analysis based
on 14 values within the range 0.0120 - 400 mg/L from 14 category members. Category members are single
chemicals or mixtures and are selected based on the profile of the target chemical. Only chemicals having
experimental data are listed in the category.
The target chemical FALLS within applicability domain of the prediction.
The data used for calculating the current prediction is taken from 22 experimental values selected from
the following database(s):
1. ECHA CHEM
QSAR TOOLBOX 3.4.0.17 (database version: 3.8.8/3.1.2) predicted that n-octyl methacrylate has an EC50 = 1.05 mg/L( Daphnia magna).
Toxicity of the target chemical is predicted from category members using trend analysis based
on 12 values within the range 0.0169 - 110 mg/L from 12 category members. Category members are single
chemicals or mixtures and are selected based on the profile of the target chemical. Only chemicals having
experimental data are listed in the category.
The target chemical FALLS within applicability domain of the prediction (see Section 4.3 for details).
The data used for calculating the current prediction is taken from 19 experimental values selected from
the following database(s):
1. ECHA CHEM
Description of key information
EC50 (72h) algae for n-octyl methacrylate predicted by QSAR TOOLBOX 3.4.0.17 database version: 3.8.8/3.1.2 from category trend analysis of 12 methacrylates is 1.05 mg/L (Evonik Oil Additives GmbH, 2017).
NOEC (72h) algae for n-octyl methacrylate predicted by QSAR TOOLBOX 3.4.0.17 database version: 3.8.8/3.1.2 from category trend analysis of 14 methacrylates is 0.171 mg/L (Evonik Oil Additives GmbH, 2017).
2-ethylhexyl methacrylate structural closely related to the target chemical n-octyl methacrylate has a similar log Kow. The experimental determined EC50 for 2-ethylhexyl methacrylate (ErC50(0-72h): 7.68 mg/l, Pseudokirchneriella subcapitata, OECD 201, MoE 1998) is in the range between 1 and 10 mg/L supporting the results of the predicted
value for n-octyl methacrylate by OSAR TOOLBOX.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 1.05 mg/L
- EC10 or NOEC for freshwater algae:
- 0.171 mg/L
Additional information
There is no reliable key study available for n-octyl methacrylate but two valid predictions by QSAR TOOLBOX 3.4.0.17 database version: 3.8.8/3.1.2.
EC50 (72h) algae for n-octyl methacrylate predicted by QSAR TOOLBOX 3.4.0.17 database version: 3.8.8/3.1.2 from category trend analysis of 12 methacrylates is 1.05 mg/L (Evonik Oil Additives GmbH, 2017).
NOEC (72h) algae for n-octyl methacrylate predicted by QSAR TOOLBOX 3.4.0.17 database version: 3.8.8/3.1.2 from category trend analysis of 14 methacrylates is 0.171 mg/L (Evonik Oil Additives GmbH, 2017).
No data are available for marine algae. With methacrylic acid, the common metabolite of all esters of the lower methacrylate category, an investigation with a series of 10 marine algae gave no indication of a higher sensitivity of marine species. To the contrary, EC50 values and NOECs tended to be higher than the corresponding freshwater data.
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