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EC number: 262-634-6 | CAS number: 61167-58-6
- 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
Bioaccumulation: aquatic / sediment
Administrative data
Link to relevant study record(s)
- Endpoint:
- bioaccumulation: aquatic / sediment
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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
EPI Suite v4.11 Estimation Programs Interface Suite™ for Microsoft® Windows v 4.11. US EPA, United States Environmental Protection Agency, Washington, DC, USA.
2. MODEL (incl. version number)
BCFBAF v3.01, Arnot-Gobas method
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached information on the model provided by the developer. Further information on the OECD criteria as outlined by the applicant is provided below under "Any other information of materials and methods incl. tables"
5. APPLICABILITY DOMAIN
See attached information and information as provided in "Any other information on results incl. tables".
6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section. - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: EPI Suite v4.11
- Model(s) used: BCFBAF v3.01
Full reference and details of the used formulas can be found in:
1. Arnot JA, Gobas FAPC. 2003. A generic QSAR for assessing the bioaccumulation potential of organic chemicals in aquatic food webs. QSAR and Combinatorial Science 22: 337-345.
- Model description: see field 'Justification for non-standard information', 'Attached justification' and 'any other information on material and methods'
- Justification of QSAR prediction: see field 'Justific ation for type of information', 'Attached justification' and/or 'overall remarks' - GLP compliance:
- no
- Vehicle:
- no
- Test organisms (species):
- other: Fish
- Route of exposure:
- other: aqueous and dietary
- Test type:
- other: calculation
- Water / sediment media type:
- natural water: freshwater
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Estimation software: EPI Suite v4.11, BCFBAF v3.01
- Result based on measured log Pow of: 7.25 - Type:
- BCF
- Value:
- 63.25 L/kg
- Basis:
- whole body w.w.
- Remarks on result:
- other: including biotransformation, upper trophic
- Type:
- other: log BCF
- Value:
- 1.801 dimensionless
- Basis:
- whole body w.w.
- Remarks on result:
- other: including biotransformation, upper trophic
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- The substance is not fully compliant with the applicability domain of the model. However, this calculation is used in a weight of evidence approach, in accordance to the REACh Regulation (EC) No 1907/2006, Annex XI General rules for adaptation of the standard testing regime set out in Annexes VII to X, 1.2. It is adequately documented and justified. For more detail see field `overall remarks, attachments´.
- Justification for type of information:
- 1. SOFTWARE
Vega version 1.1.3
2. MODEL (incl. version number)
BCF Read-Across v1.1.0
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached information on the model provided by the developer. Further information on the OECD criteria as outlined by the applicant is provided below under "Any other information of materials and methods incl. tables"
5. APPLICABILITY DOMAIN
See attached information and information as provided in "Any other information on results incl. tables".
6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section. - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: Vega v1.1.3
- Model(s) used: BCF Read-Across version 1.1.0
Full reference and details of the used formulas can be found in:
Manganaro, A., Pizzo, F., Lombardo, A., Pogliaghi, A., Benfenati, E., 2016. Predicting persistence in the sediment compartment with a new automatic software based on the k-Nearest Neighbor (k-NN) algorithm. Chemosphere 144, 1624–1630.
- Model description: see field 'Justification for non-standard information', 'Attached justification' and 'any other information on Material and methods'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' and/or 'overall remarks' - GLP compliance:
- no
- Vehicle:
- no
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Test type:
- other: calculation
- Water / sediment media type:
- natural water: freshwater
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Estimation software: VegaNIC version 1.1.3, BCF Read-Across version 1.1.0 - Type:
- other: log BCF
- Value:
- 1.74 dimensionless
- Basis:
- whole body w.w.
- Type:
- BCF
- Value:
- 54.95 L/kg
- Basis:
- whole body w.w.
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- Result is based on a calcualted log Pow but the substance has a measured log Pow of 7.25.
- Justification for type of information:
- 1. SOFTWARE
Vega version 1.1.3
2. MODEL (incl. version number)
CAESAR v 2.1.14
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached information on the model provided by the developer. Further information on the OECD criteria as outlined by the applicant is provided below under "Any other information of materials and methods incl. tables"
5. APPLICABILITY DOMAIN
See attached information and information as provided in "Any other information on results incl. tables".
6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section. - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: Vega v1.1.3
- Model(s) used: CAESAR BCF Model version 2.1.14
Full reference and details of the used formulas can be found in:
Zhao, C., Boriani, E., Chana, A., Roncaglioni,A., Benfenati, E. A new hybrid system of QSAR models for predicting bioconcentration factors (BCF). Chemosphere (2008), 73, 1701-1707.
Lombardo A, Roncaglioni A, Boriani E, Milan C, Benfenati E. Assessment and validation of the CAESAR predictive model for bioconcentration factor (BCF) in fish. Chemistry Central Journal (2010), 4 (Suppl 1).
Todeschini R. and Consonni V., Molecular Descriptors for Chemoinformatics, Wiley-VCH, (2009).
- Model description: see field 'Justification for non-standard information', 'Attached justification' and 'any other information on Material and methods'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' and/or 'overall remarks' - GLP compliance:
- no
- Vehicle:
- no
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Justification for method:
- minimised test method used to support BCF estimates based on QSAR
- Test type:
- other: calculation
- Water / sediment media type:
- natural water: freshwater
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Estimation software: Vega version 1.1.3, CAESAR v 2.1.14
- Result based on calculated log Pow of: 5.59 - Type:
- other: Log BCF
- Value:
- 1.55 dimensionless
- Basis:
- whole body w.w.
- Type:
- BCF
- Value:
- 35 L/kg
- Basis:
- whole body w.w.
- Type:
- other: Log BCF
- Value:
- 2.06 dimensionless
- Remarks on result:
- other: Predicted BCF from sub-model 1 (HM)
- Type:
- other: Log BCF
- Value:
- 1.51 dimensionless
- Remarks on result:
- other: Predicted BCF from sub-model 2 (GA)
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- The substance is not fully compliant with the applicability domain of the model. However, this calculation is used in a weight of evidence approach, in accordance to the REACh Regulation (EC) No 1907/2006, Annex XI General rules for adaptation of the standard testing regime set out in Annexes VII to X, 1.2. It is adequately documented and justified. For more detail see field `overall remarks, attachments´.
- Justification for type of information:
- 1. SOFTWARE
Vega version 1.1.3
2. MODEL (incl. version number)
BCF Meylan Model v1.0.3
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
See “Test material information”
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
See attached information on the model provided by the developer. Further information on the OECD criteria as outlined by the applicant is provided below under "Any other information of materials and methods incl. tables"
5. APPLICABILITY DOMAIN
See attached information and information as provided in "Any other information on results incl. tables".
6. ADEQUACY OF THE RESULT
See assessment of adequacy as outlined in the "Overall remarks, attachments" section. - Qualifier:
- according to guideline
- Guideline:
- other: REACH Guidance on QSARs R.6
- Principles of method if other than guideline:
- - Software tool(s) used including version: Vega v1.1.3
- Model(s) used: BCF Meylan Model version 1.0.3
Full reference and details of the used formulas can be found in:
Meylan W.M., Howard P.H., Boethling R.S. et al. Improved Method for Estimating Bioconcentration / Bioaccumulation Factor from Octanol/Water Partition Coefficient. 1999, Environ. Toxicol. Chem. 18(4): 664-672
- Model description: see field 'Justification for non-standard information', 'Attached justification' and 'any other information on Material and methods'
- Justification of QSAR prediction: see field 'Justification for type of information', 'Attached justification' and/or 'overall remarks' - GLP compliance:
- no
- Vehicle:
- no
- Test organisms (species):
- other: Fish
- Route of exposure:
- aqueous
- Justification for method:
- minimised test method used to support BCF estimates based on QSAR
- Test type:
- other: calculation
- Water / sediment media type:
- natural water: freshwater
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Estimation software: Vega version 1.1.3, Meylan Model version 1.0.3
- Result based on calculated log Pow of: 8.63 - Type:
- BCF
- Value:
- 1 264 L/kg
- Basis:
- whole body w.w.
- Type:
- other: Log BCF
- Value:
- 3.1 dimensionless
- Basis:
- whole body w.w.
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 08 Feb - 05 Apr 1983
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Remarks:
- Study performed comparable to the OECD 305 guideline from 1981. It is considered suitable as supportive information.
- Qualifier:
- according to guideline
- Guideline:
- other: “Bioconcentration Test of Chemical Substances in the Body of Fish and Shellfish” (Kanpogyo No. 5, Yakuhatsu No. 615, 49 Kikyoku No. 392).
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 305 C (Bioaccumulation: Test for the Degree of Bioconcentration in Fish)
- Version / remarks:
- 1981
- GLP compliance:
- no
- Radiolabelling:
- no
- Details on sampling:
- - Sampling intervals/frequency for test organisms: Samples were taken every 2 weeks.
- Vehicle:
- yes
- Details on preparation of test solutions, spiked fish food or sediment:
- PREPARATION AND APPLICATION OF TEST SOLUTION (especially for difficult test substances)
- Method: 25 g of test substance and 100 g of caster oil HCO20 were added to 5 L of distilled water and dispersed with using desperser for preparing stock solution. - Test organisms (species):
- Cyprinus carpio
- Details on test organisms:
- TEST ORGANISM
- Common name: carp
- Length at study initiation (length definition, mean, range and SD): 9.9 cm (mean)
- Weight at study initiation (mean and range, SD): 24.8 g (mean) - Route of exposure:
- aqueous
- Test type:
- flow-through
- Water / sediment media type:
- natural water: freshwater
- Total exposure / uptake duration:
- 8 wk
- Test temperature:
- 25 ± 2 °C
- pH:
- 6.44 - 7.34
- Dissolved oxygen:
- 6.45 - 8.35 ppm
- Details on test conditions:
- TEST SYSTEM
- Test vessel: 100 L glass aquaria
- Type of flow-through (e.g. peristaltic or proportional diluter): proportional diluter
- Renewal rate of test solution (frequency/flow rate): 400 mL/min
- No. of organisms per vessel: 16
- No. of vessels per concentration (replicates): 2
- No. of vessels per control / vehicle control (replicates): 1
TEST MEDIUM / WATER PARAMETERS
- Source/preparation of dilution water: dechlorinated water
RANGE-FINDING / PRELIMINARY STUDY
- Test concentrations: 1, 10, 100 ppm
- Results used to determine the conditions for the definitive study: No mortality was observed in a preliminary study after 48 h. Thus, the selected concentrations are justified. - Nominal and measured concentrations:
- nominal: 0.1 and 1.0 ppm
measured: 0.098 - 0.10 ppm; 0.98 - 1.0 ppm - Reference substance (positive control):
- no
- Lipid content:
- >= 1.1 - <= 2.4 %
- Time point:
- other: 2 weeks
- Remarks on result:
- other: Concentration 1
- Lipid content:
- >= 1.4 - <= 2.4 %
- Time point:
- end of exposure
- Remarks on result:
- other: Concentration 1
- Lipid content:
- >= 1.1 - <= 2 %
- Time point:
- other: 2 weeks
- Remarks on result:
- other: Concentration 2
- Lipid content:
- >= 1.8 - <= 1.9 %
- Time point:
- end of exposure
- Remarks on result:
- other: Concentration 2
- Conc. / dose:
- 0.1 other: ppm
- Temp.:
- >= 23 - <= 27 °C
- Type:
- BCF
- Value:
- >= 6.1 - <= 12 dimensionless
- Basis:
- whole body w.w.
- Calculation basis:
- steady state
- Conc. / dose:
- 1 other: ppm
- Temp.:
- >= 23 - <= 27 °C
- Type:
- BCF
- Value:
- < 14 dimensionless
- Basis:
- whole body w.w.
- Calculation basis:
- steady state
- Remarks on result:
- not measured/tested
- Remarks on result:
- not measured/tested
- Validity criteria fulfilled:
- not specified
- Remarks:
- However, the validity criteria of todays standard method (OECD 305C) are mainly met.
Referenceopen allclose all
For detailed information on the results please refer to the attached report.
For detailed information on the results please refer to the attached report.
For detailed information on the results please refer to the attached report.
For detailed information on the results please refer to the attached report.
Table 1.Mean concentrations in test water for calculation of bioconcentration factors (ppm)
|
2 weeks |
4 weeks |
6 weeks |
8 weeks |
Concentration level No. 1 |
0.98 |
0.98 |
0.99 |
1.0 |
Concentration level No. 2 |
0.098 |
0.097 |
0.099 |
0.10 |
Table 2. Concentrations in test fish (ppm)
|
2 weeks |
4 weeks |
6 weeks |
8 weeks |
Concentration level No. 1 |
1.59 2.90 |
<1.28 <1.29 |
3.41 3.83 |
6.08 12.3 |
Concentration level No. 2 |
<1.26 <1.20 |
<1.09 <1.60 |
<1.24 <1.22 |
<1.42 <1.43 |
<: Concentrations below the limit of quantification.
Table 3. Bioconcentration factors
|
2 weeks |
4 weeks |
6 weeks |
8 weeks |
Concentration level No. 1 |
1.6 3.0 |
<1.3 <1.3 |
3.4 3.9 |
6.1 12 |
Concentration level No. 2 |
<13 <12 |
<11 <17 |
<13 <12 |
<14 <14 |
<: Bioconcentration factors calculated from concentrations (in the fish) below the limit of quantification.
Table 4. Lipid content (%)
|
2 weeks |
4 weeks |
6 weeks |
8 weeks |
Concentration level No. 1 |
1.1 2.4 |
1.3 1.7 |
2.2 1.6 |
1.4 2.4 |
Concentration level No. 2 |
2.0 1.1 |
6.6 5.4 |
1.8 2.3 |
1.8 1.9 |
Table 5: Validity criteria for OECD 305 (2012).
Criterion from the guideline |
Outcome |
Validity criterion fulfilled |
The water temperature variation is less than ± 2°C, because large deviations can affect biological parameters relevant for uptake and depuration as well as cause stress to animals. |
25 ± 2 °C |
yes |
The concentration of dissolved oxygen does not fall below 60% saturation. |
6.45 - 8.35 ppm |
yes |
The concentration of the test substance in the chambers is maintained within ± 20% of the mean of the measured values during the uptake phase. |
nominal: 0.1 and 1.0 ppm measured: 0.098 - 0.10 ppm; 0.98 - 1.0 ppm |
yes |
The concentration of the test substance is below its limit of solubility in water, taking into account the effect that the test water may have on effective solubility |
Yes, for exposure level 1 (0.1 ppm) |
Partly yes |
The mortality or other adverse effects/disease in both control and treated fish is less than 10% at the end of the test; where the test is extended over several weeks or months, death or other adverse effects in both sets of fish should be less than 5% per month and not exceed 30% in all. Significant differences in average growth between the test and the control groups of sampled fish could be an indication of a toxic effect of the test chemical. |
Not reported |
No conclusion can be reached. |
Description of key information
2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl acrylate (CAS 61167-58-6) is considered to have a low potential for bioaccumulation based on the available data.
Key value for chemical safety assessment
Additional information
The bioaccumulation potential of
2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl
acrylate (CAS 61167-58-6) was assessed in a weight-of evidence approach
in accordance with Regulation (EC) No 1907/2006, Annex XI, 1.2.
One experimental study is available investigating the bioaccumulation
potential of the test item in freshwater species Cyprinus carpio. The
study was performed according to “Bioconcentration Test of Chemical
Substances in the Body of Fish and Shellfish” (Kanpogyo No. 5, Yakuhatsu
No. 615, 49 Kikyoku No. 392), which is equivalent or similar to OECD
305C (1981). Fish were exposed to the test item under flow-through
conditions at concentrations of 0.1 and 1.0 ppm. Both nominal exposure
concentrations remained within 20% of nominal during exposure. The
exposure concentrations in fish as well as in test medium were monitored
every 2 weeks until a total duration of the study of 8 weeks. After 8
weeks of exposure a BCF of ≥ 6.1 to ≤ 12 was calculated for the exposure
concentration of 0.1 ppm, and a BCF of < 14 was determined at the
concentration of 1 ppm (based on whole body wet weight). Even though
this study was not performed according to today’s standard methods it
provides important evidence that the substance has a low potential for
bioaccumulation in fish.
This result is further supported by several QSAR estimations (Meylan Model v1.0.3, CAESAR v2.1.14, BCF Read-across v1.1.0 (KNN), and BCFBAF v3.01). The performance of the models is moderate to good and therefore all results are used in combination with the experimental data in a Weight-of-Evidence approach. The predictions of the CAESAR, BCFBAF v3.01 and KNN models are all in the same range of magnitude (BCF values from 35 to 63.25 L/kg). All models show that the substance has a low potential for bioaccumulation.
The model training set of both the CAESAR and the KNN models
contain an experimental result from a very similar substance (CAS
119-47-1;6,6'-di-tert-butyl-2,2'-methylenedi-p-cresol; Similarity:
0.881) bearing an experimental BCF of 93.33 L/kg. This study result was
considered reliable in the Substance Evaluation Conclusion document for
this substance issued by the evaluating member state of Denmark (30.
June 2017). Both models perform very good on this molecule resulting in
BCF values of 35 and 55, respectively (see Table 1). These results
strongly support the results of the experimental study performed
with2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl
acrylate.
The BCFBAF v3.01 model resulted in a BCF of 63.25 L/kg (including
biotransformation) for the upper trophic. This result is in line with
the BCF resulting from the CAESAR and KNN model as well as the
experimental study.
The Meylan Model v1.0.3 with a resulting BCF of 1264 L/kg is very likely
to overestimate the bioaccumulation potential since the model only takes
the log Pow into account for prediction of bioaccumulation. Even though
the log Pow is the most important parameter to assess bioaccumulation
via distribution from surrounding medium to fat tissue it does not take
any metabolic fate, sterical hindrance or any other parameters limiting
bioaccumulation into account. Furthermore the model performance is not
optimal for substances with high log Pow values (>7). Thus, this model
can be described as the most simple one from all applied QSAR models and
the result should be taken into account with caution.
The following table summarizes the available data for bioaccumulation.
Table 1: Available data for bioaccumulation of 2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl acrylate
Experimental Study/QSAR |
Guideline/Model |
Result |
Reliability |
Experimental |
Equivalent to OECD 305C |
BCF: ≥6.1 to < 14 |
RL2 |
QSAR |
CAESAR v2.1.14 |
BCF: 35 L/kg |
RL2, not completely in applicability domain |
QSAR |
BCF Read-Across v1.1.0 (KNN) |
BCF: 54.95 L/kg |
RL2, not completely in applicability domain |
QSAR |
BCFBAF v3.01 |
BCF: 63.25 L/kg |
RL2, in applicability domain |
QSAR |
Meylan Model v1.0.3 |
BCF: 1264 L/kg |
RL2, not completely in applicability domain |
Based on all available information, 2-(1,1-dimethylethyl)-6-[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenyl acrylate is considered to have a low potential for bioaccumulation.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.