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EC number: 401-280-0 | CAS number: 91273-04-0 CM 23-376; REOMET 30
- 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 in aquatic species, other
- Remarks:
- QSAR
- 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
- Principles of method if other than guideline:
- Calculated with SRC BCFBAF v3.01
- GLP compliance:
- no
- Radiolabelling:
- no
- Test organisms (species):
- other: calculation
- Details on estimation of bioconcentration:
- BASIS INFORMATION
- Measured/calculated logPow: calculated
BASIS FOR CALCULATION OF BCF
- Estimation software: BCFBAF Program (v3.01) (part of EPI Suite v4.10)
- Result based on calculated log Pow of: 4.94 (EPI Suite v4.10) - Type:
- BCF
- Value:
- 3.16
- Remarks on result:
- other: log BCF: 0.5
- Type:
- BAF
- Value:
- 0.915
- Remarks on result:
- other: log BAF: -0.04; Arnot-Gobas BAF method (including biotransformation rate estimates; upper trophic level)
- Endpoint:
- bioaccumulation in aquatic species, other
- Remarks:
- QSAR
- Type of information:
- (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:
- QSAR prediction
- Principles of method if other than guideline:
- T.E.S.T. is a toxicity estimation software tool. The program requires only the molecular structure of the test item, all other molecular descriptors which are required to estimate the toxicity are calculated within the tool itself. The molecular descriptors describe physical characteristics of the molecule (e.g. E-state values and E-state counts, constitutional descriptors, topological descriptors, walk and path counts, connectivity, information content, 2d autocorrelation, Burden
eigenvalue, molecular property (such as the octanol-water partition coefficient), Kappa, hydrogen bond acceptor/donor counts, molecular distance edge, and molecular fragment counts). Each of the available methods uses a different set of these descriptors to estimate the toxicity.
The bioaccumulation factor (BCF) was estimated using several available methods: hierarchical method; FDA method, single model method; group contribution method; nearest neighbor method; consensus method. The methods were validated using statistical external validation using separate training and test data sets.
The experimental data set was obtained from several different databases (Dimitrov et al., 2005; Arnot and Gobas, 2006; EURAS; Zhao, 2008). From the available data set containing 643 chemicals salts, mixtures and ambiguous compounds were removed. The final data set contained 598 chemicals.
References:
- Dimitrov, S., N. Dimitrova, T. Parkerton, M. Combers, M. Bonnell, and O. Mekenyan. 2005. Base-line model for identifying the bioaccumulation potential of chemicals. SAR and QSAR in Environmental Research 16:531-554.
- Arnot, J.A., and F.A.P.C. Gobas. 2006. A review of bioconcentration factor (BCF) and bioaccumulation factor (BAF) assessments for organic chemicals in aquatic organisms. Environ. Rev. 14:257-297.
- EURAS. Establishing a bioconcentration factor (BCF) Gold Standard Database. EURAS [cited 5/20/09]. Available from http://www.euras.be/eng/project.asp?ProjectId=92.
- Zhao, C.; Boriani, E.; Chana, A.; Roncaglioni, A.; Benfenati, E. 2008. A new hybrid system of QSAR models for predicting bioconcentration factors (BCF). Chemosphere 73:1701-1707. - GLP compliance:
- no
- Test organisms (species):
- other: fish
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Estimation software: US EPA T.E.S.T. v4.0.1
Applied estimation methods:
- Hierarchical method : The toxicity for a given query compound is estimated using the weighted average of the predictions from several different cluster models.
- FDA method : The prediction for each test chemical is made using a new model that is fit to the chemicals that are most similar to the test compound. Each model is generated at runtime.
- Single model method : Predictions are made using a multilinear regression model that is fit to the training set (using molecular descriptors as independent variables).
- Group contribution method : Predictions are made using a multilinear regression model that is fit to the training set (using molecular fragment counts as independent variables).
- Nearest neighbor method : The predicted toxicity is estimated by taking an average of the 3 chemicals in the training set that are most similar to the test chemical.
- Consensus method : The predicted toxicity is estimated by taking an average of the predicted toxicities from the above QSAR methods (provided the predictions are within the respective applicability domains; recommended method by T.E.S.T. for providing the most accurate predictions). - Type:
- BCF
- Value:
- 0.89
- Remarks on result:
- other: method: consensus
- Type:
- other: log BCF
- Value:
- -0.05
- Remarks on result:
- other: method: consensus
- Endpoint:
- bioaccumulation in aquatic species, other
- Remarks:
- QSAR
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- Calculated with Catalogic v5.11.2 BCF base-line model v02.05.
- Details on estimation of bioconcentration:
- BASIS INFORMATION
- Measured/calculated logPow: calculated
BASIS FOR CALCULATION OF BCF
- Estimation software: BCF base-line model v02.05 of OASIS CATALOGIC v5.11.2 - Type:
- BCF
- Value:
- 13.39
- Remarks on result:
- other: log BCF: 1.267, all mitigating factors applied
- Endpoint:
- bioaccumulation in aquatic species, other
- Remarks:
- QSAR
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- Calculated with SRC BCFBAF v3.01
- GLP compliance:
- no
- Radiolabelling:
- no
- Test organisms (species):
- other: calculation
- Details on estimation of bioconcentration:
- BASIS INFORMATION
- Measured/calculated logPow: calculated
BASIS FOR CALCULATION OF BCF
- Estimation software: BCFBAF Program (v3.01) (part of EPI Suite v4.10)
- Result based on calculated log Pow of: 4.94 (EPI Suite v4.10) - Type:
- BCF
- Value:
- 415
- Remarks on result:
- other: log BCF: 2.62
- Type:
- BAF
- Value:
- 74 300
- Remarks on result:
- other: log BAF: 4.87; Arnot-Gobas BAF method (including biotransformation rate estimates; upper trophic level)
- Endpoint:
- bioaccumulation in aquatic species, other
- Remarks:
- QSAR
- Type of information:
- (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:
- QSAR prediction
- Principles of method if other than guideline:
- T.E.S.T. is a toxicity estimation software tool. The program requires only the molecular structure of the test item, all other molecular descriptors which are required to estimate the toxicity are calculated within the tool itself. The molecular descriptors describe physical characteristics of the molecule (e.g. E-state values and E-state counts, constitutional descriptors, topological descriptors, walk and path counts, connectivity, information content, 2d autocorrelation, Burden
eigenvalue, molecular property (such as the octanol-water partition coefficient), Kappa, hydrogen bond acceptor/donor counts, molecular distance edge, and molecular fragment counts). Each of the available methods uses a different set of these descriptors to estimate the toxicity.
The bioaccumulation factor (BCF) was estimated using several available methods: hierarchical method; FDA method, single model method; group contribution method; nearest neighbor method; consensus method. The methods were validated using statistical external validation using separate training and test data sets.
The experimental data set was obtained from several different databases (Dimitrov et al., 2005; Arnot and Gobas, 2006; EURAS; Zhao, 2008). From the available data set containing 643 chemicals salts, mixtures and ambiguous compounds were removed. The final data set contained 598 chemicals.
References:
- Dimitrov, S., N. Dimitrova, T. Parkerton, M. Combers, M. Bonnell, and O. Mekenyan. 2005. Base-line model for identifying the bioaccumulation potential of chemicals. SAR and QSAR in Environmental Research 16:531-554.
- Arnot, J.A., and F.A.P.C. Gobas. 2006. A review of bioconcentration factor (BCF) and bioaccumulation factor (BAF) assessments for organic chemicals in aquatic organisms. Environ. Rev. 14:257-297.
- EURAS. Establishing a bioconcentration factor (BCF) Gold Standard Database. EURAS [cited 5/20/09]. Available from http://www.euras.be/eng/project.asp?ProjectId=92.
- Zhao, C.; Boriani, E.; Chana, A.; Roncaglioni, A.; Benfenati, E. 2008. A new hybrid system of QSAR models for predicting bioconcentration factors (BCF). Chemosphere 73:1701-1707. - GLP compliance:
- no
- Test organisms (species):
- other: fish
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Estimation software: US EPA T.E.S.T. v4.0.1
Applied estimation methods:
- Hierarchical method : The toxicity for a given query compound is estimated using the weighted average of the predictions from several different cluster models.
- FDA method : The prediction for each test chemical is made using a new model that is fit to the chemicals that are most similar to the test compound. Each model is generated at runtime.
- Single model method : Predictions are made using a multilinear regression model that is fit to the training set (using molecular descriptors as independent variables).
- Group contribution method : Predictions are made using a multilinear regression model that is fit to the training set (using molecular fragment counts as independent variables).
- Nearest neighbor method : The predicted toxicity is estimated by taking an average of the 3 chemicals in the training set that are most similar to the test chemical.
- Consensus method : The predicted toxicity is estimated by taking an average of the predicted toxicities from the above QSAR methods (provided the predictions are within the respective applicability domains; recommended method by T.E.S.T. for providing the most accurate predictions). - Type:
- BCF
- Value:
- 115.38
- Remarks on result:
- other: method: consensus
- Type:
- other: log BCF
- Value:
- 2.06
- Remarks on result:
- other: method: consensus
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Static exposure in 30 l glass aquaria containing sea water (4 % salinity; 22-24°C)
- GLP compliance:
- no
- Test organisms (species):
- other: Peanaeus stylirostris (blue shrimp)
- Route of exposure:
- aqueous
- Test type:
- static
- Water / sediment media type:
- natural water: marine
- Total exposure / uptake duration:
- 24 h
- Test temperature:
- 22-24 °C
- Salinity:
- 40 pro mille
- Nominal and measured concentrations:
- nominal: 0, 18,5 and 55,5 ppm
- Type:
- BCF
- Value:
- < 1 dimensionless
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Remarks:
- However, the study was not conducted to determine a BCF of formaldehyde.
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- Aim of this study was to examine if residues of formaldehyde remain in edible fish tissue (muscle) after typicel anti-parasitical treatments in aquaculture.
- GLP compliance:
- no
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
Not applicable - Radiolabelling:
- no
- Vehicle:
- no
- Details on preparation of test solutions, spiked fish food or sediment:
- No data
- Test organisms (species):
- other:
- Details on test organisms:
- Fish species tested for formaldehyde residues were olive flounder (Paralichthys olivaceus), weighing between 86 and 105 g, and black rockfish (Sebastes schlegeli), weighing between 80 and 100 g.
- Route of exposure:
- aqueous
- Test type:
- flow-through
- Water / sediment media type:
- natural water: marine
- Total exposure / uptake duration:
- 1 h
- Hardness:
- No data
- Test temperature:
- 20°C
- pH:
- No data
- Dissolved oxygen:
- No data
- TOC:
- No data
- Salinity:
- No data
- Details on test conditions:
- Fish species tested for formaldehyde residues were olive flounder (Paralichthys olivaceus), weighing between 86 and 105 g, and black rockfish (Sebastes schlegeli), weighing between 80 and 100 g. Prior to the experiments fish were acclimated to laboratory conditions for 40 days in 400 L constant-flow seawater aquaria at 20 °C. Twenty-five fish were randomly assigned to each of the four treatments with 100 mg/L, 300 mg/L, 500 mg/L formalin and a control (treatments based on formaldehyde were 37 mg/L, 111 mg/L and 185 mg/L). As a test medium filtered seawater was used. After one hour of exposure, five fish per treatment were immediately sampled for formaldehyde analysis in muscle tissue. The remaining fish were transferred into clean water and five fish were then sampled at each sample date at 24, 48 and 72 hours post exposure. Aim of this study was to examine if residues of formaldehyde remain in edible fish tissue (muscle) after typicel anti-parasitical treatments in aquaculture.
- Nominal and measured concentrations:
- Nominal concentrations: 37 mg/L, 111 mg/L, 185 mg/L formaldehyde and a control
- Reference substance (positive control):
- no
- Type:
- BCF
- Value:
- < 1
- Calculation basis:
- other: calculated from water and tissue concentration
- Remarks on result:
- other: No data on steady
- Elimination:
- not specified
- Remarks on result:
- not measured/tested
- Details on kinetic parameters:
- - Uptake rate constant (k1): No data
- Depuration (loss) rate constant (k2): No data. 24 hours post exposure tissue formaldehyde concentrations returned to normal levels. - Metabolites:
- No data
- Results with reference substance (positive control):
- Not applicable
- Details on results:
- - Mortality of test organisms: No mortality occurred
- Behavioural abnormalities: No data on behavioural responses
Bioconcentration factor (BCF):
No data given in the publication.
Under the assumption that steady-state conditions had already been reached after one hour of exposure, BCFs can be calculated as follows:
BCF = concentration in fish (mg/g) / concentration in water (mg/L)
Using that equation results in BCF values between 0.000003 and 0.000004. These values, however, remain unreliable. - Reported statistics:
- Student's t-test
- Conclusions:
- Despite the deficiencies of the test, it can be concluded that formaldehyde has no bioconcentration potential in fish. Food-chain accumulation and secondary poisoning can thus be excluded.
- Executive summary:
Immediately after one hour of exposure towards formaldehyde at a concentration of 185 mg/L, formaldehyde levels in muscle tissue were elevated by 0.5 to 0.8 µg/g freshweight in both species. After 24 hours levels had returned to control levels.
Log POW = 0.35
BCF = 0.000004 (unreliable)
Uptake rate constant: no data
Depuration rate constant: no data
DT50: no dataEstimation of bioconcentration
Experimental data from the present study and a low log Pow value indicate that formaldehyde does not bioconcentrate in fish. Consequently, secondary poisoning due to food-chain accumulation can be excluded.- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- static exposure followed by different depuration periods
- GLP compliance:
- no
- Test organisms (species):
- other: various fish species
- Route of exposure:
- aqueous
- Test type:
- static
- Water / sediment media type:
- natural water: freshwater
- Total exposure / uptake duration:
- >= 1 - <= 3 h
- Total depuration duration:
- <= 24 h
- Type:
- BCF
- Value:
- < 1 dimensionless
- Endpoint:
- bioaccumulation in aquatic species: fish
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- abstract
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- other
- GLP compliance:
- no
- Test organisms (species):
- Cyprinus carpio
- Details on results:
- Results showed that formaldehyde in the muscle increased in the first samples after being exposed to various formalin treatments, and the level of formalin in treated fish was significantly higher than that of the control group. Furthermore, formaldehyde in the muscle of the fish at 30 and 20°C treated with 25 ppm for the long-term exposure reached a peak at 24 and 48 h, respectively. However, the formaldehyde concentrations of treated fish gradually decreased before returning to the background level after 144 h in each group.
- Endpoint:
- bioaccumulation in aquatic species, other
- Remarks:
- QSAR
- 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
- Principles of method if other than guideline:
- Calculated with Catalogic v5.11.2 BCF base-line model v02.05.
- Details on estimation of bioconcentration:
- BASIS INFORMATION
- Measured/calculated logPow: calculated
BASIS FOR CALCULATION OF BCF
- Estimation software: BCF base-line model v02.05 of OASIS CATALOGIC v5.11.2 - Type:
- BCF
- Value:
- 5.09
- Remarks on result:
- other: log BCF: , all mitigating factors applied
- Endpoint:
- bioaccumulation in aquatic species, other
- Remarks:
- QSAR
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Principles of method if other than guideline:
- Calculated with SRC BCFBAF v3.01
- GLP compliance:
- no
- Radiolabelling:
- no
- Test organisms (species):
- other: calculation
- Details on estimation of bioconcentration:
- BASIS INFORMATION
- Measured/calculated logPow: calculated
BASIS FOR CALCULATION OF BCF
- Estimation software: BCFBAF Program (v3.01) (part of EPI Suite v4.10)
- Result based on calculated log Pow of: 4.94 (EPI Suite v4.10) - Type:
- BCF
- Value:
- 117 L/kg
- Remarks on result:
- other: log BCF: 2.07
- Type:
- BAF
- Value:
- 1 070 L/kg
- Remarks on result:
- other: log BAF: 3.03; Arnot-Gobas BAF method (including biotransformation rate estimates; upper trophic level)
- Endpoint:
- bioaccumulation in aquatic species, other
- Remarks:
- QSAR
- Type of information:
- (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:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- T.E.S.T. is a toxicity estimation software tool. The program requires only the molecular structure of the test item, all other molecular descriptors which are required to estimate the toxicity are calculated within the tool itself. The molecular descriptors describe physical characteristics of the molecule (e.g. E-state values and E-state counts, constitutional descriptors, topological descriptors, walk and path counts, connectivity, information content, 2d autocorrelation, Burden
eigenvalue, molecular property (such as the octanol-water partition coefficient), Kappa, hydrogen bond acceptor/donor counts, molecular distance edge, and molecular fragment counts). Each of the available methods uses a different set of these descriptors to estimate the toxicity.
The bioaccumulation factor (BCF) was estimated using several available methods: hierarchical method; FDA method, single model method; group contribution method; nearest neighbor method; consensus method. The methods were validated using statistical external validation using separate training and test data sets.
The experimental data set was obtained from several different databases (Dimitrov et al., 2005; Arnot and Gobas, 2006; EURAS; Zhao, 2008). From the available data set containing 643 chemicals salts, mixtures and ambiguous compounds were removed. The final data set contained 598 chemicals.
References:
- Dimitrov, S., N. Dimitrova, T. Parkerton, M. Combers, M. Bonnell, and O. Mekenyan. 2005. Base-line model for identifying the bioaccumulation potential of chemicals. SAR and QSAR in Environmental Research 16:531-554.
- Arnot, J.A., and F.A.P.C. Gobas. 2006. A review of bioconcentration factor (BCF) and bioaccumulation factor (BAF) assessments for organic chemicals in aquatic organisms. Environ. Rev. 14:257-297.
- EURAS. Establishing a bioconcentration factor (BCF) Gold Standard Database. EURAS [cited 5/20/09]. Available from http://www.euras.be/eng/project.asp?ProjectId=92.
- Zhao, C.; Boriani, E.; Chana, A.; Roncaglioni, A.; Benfenati, E. 2008. A new hybrid system of QSAR models for predicting bioconcentration factors (BCF). Chemosphere 73:1701-1707. - GLP compliance:
- no
- Test organisms (species):
- other: fish
- Details on estimation of bioconcentration:
- BASIS FOR CALCULATION OF BCF
- Estimation software: US EPA T.E.S.T. v4.0.1
Applied estimation methods:
- Hierarchical method : The toxicity for a given query compound is estimated using the weighted average of the predictions from several different cluster models.
- FDA method : The prediction for each test chemical is made using a new model that is fit to the chemicals that are most similar to the test compound. Each model is generated at runtime.
- Single model method : Predictions are made using a multilinear regression model that is fit to the training set (using molecular descriptors as independent variables).
- Group contribution method : Predictions are made using a multilinear regression model that is fit to the training set (using molecular fragment counts as independent variables).
- Nearest neighbor method : The predicted toxicity is estimated by taking an average of the 3 chemicals in the training set that are most similar to the test chemical.
- Consensus method : The predicted toxicity is estimated by taking an average of the predicted toxicities from the above QSAR methods (provided the predictions are within the respective applicability domains; recommended method by T.E.S.T. for providing the most accurate predictions). - Type:
- BCF
- Value:
- 32.58
- Remarks on result:
- other: method: consensus
- Type:
- other: log BCF
- Value:
- 1.51
- Remarks on result:
- other: method: consensus
Referenceopen allclose all
Summary Results:
Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.0918 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): -0.04 (BAF = 0.915 L/kg wet-wt)
Log Kow (experimental): -0.58
Log Kow used by BCF estimates: -0.58
Equation Used to Make BCF estimate:
Log BCF = 0.50
Correction(s): Value
Correction Factors Not Used for Log Kow < 1
Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt)
Whole body primary biotransformation rate estimate for fish: | ||||
Type | Num | Log Biotransformation Fragment Description | Coeff | Value |
Frag | 1 | Triazole ring | 0.3225 | 0.3225 |
Frag | 2 | Aromatic-H | 0.2664 | 0.5328 |
L Kow | * | Log Kow = -0.58 (KowWin estimate) | 0.3073 | -0.1783 |
MolWt | * | Molecular weight parameter | -0.1771 | |
Const | * | Equation Constant | -1.5058 | |
Result | Log Bio Half-Life (days) | -1.0371 | ||
Result | Bio Half-Life (days) | 0.0918 | ||
Note | Bio Half-Life Normalized to 10 g fish at 15 deg C |
Biotransformation Rate Constant:
kM (Rate Constant): 7.55 /day (10 gram fish)
kM (Rate Constant): 4.246 /day (100 gram fish)
kM (Rate Constant): 2.388 /day (1 kg fish)
kM (Rate Constant): 1.343 /day (10 kg fish)
Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):
Estimated Log BCF (upper trophic) = -0.039 (BCF = 0.9151 L/kg wet-wt)
Estimated Log BAF (upper trophic) = -0.039 (BAF = 0.9151 L/kg wet-wt)
Estimated Log BCF (mid trophic) = -0.023 (BCF = 0.9475 L/kg wet-wt)
Estimated Log BAF (mid trophic) = -0.023 (BAF = 0.9475 L/kg wet-wt)
Estimated Log BCF (lower trophic) = -0.020 (BCF = 0.9545 L/kg wet-wt)
Estimated Log BAF (lower trophic) = -0.020 (BAF = 0.9545 L/kg wet-wt)
Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):
Estimated Log BCF (upper trophic) = -0.036 (BCF = 0.9211 L/kg wet-wt)
Estimated Log BAF (upper trophic) = -0.036 (BAF = 0.9215 L/kg wet-wt)
Model domain similarity:
- Parametric domain: 100%
- Structural domain: 88.24% (11.76% unknown)
- Mechanistic domain: 100%
Effects of mitigating factors on BCF:
Acids | 0.0000 |
Metabolism | 2.8755 |
Phenols | 0.0000 |
Size | 0.3690 |
Water solubility | 0.1108 |
The BCF base-line model estimates the log BCF for the test substance at 1.1267 (BCF 13.39).
Summary Results:
Log BCF (regression-based estimate): 2.62 (BCF = 415 L/kg wet-wt)
Biotransformation Half-Life (days) : 14.9 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 4.87 (BAF = 7.43e+004 L/kg wet-wt)
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 6.56
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): Value
Alkyl chains (8+ -CH2- groups) -1.374
Estimated Log BCF = 2.618 (BCF = 415.2 L/kg wet-wt)
Whole body primary biotransformation rate estimate for fish: | ||||
Type | Num | Log Biotransformation Fragment Description | Coeff | Value |
Frag | 2 | Linear C4 terminal chain [CCC-CH3] | 0.0341 | 0.0682 |
Frag | 1 | Aliphatic amine [-NH2 or -NH-] | 0.4067 | 0.4067 |
Frag | 4 | Methyl [-CH3] | 0.2451 | 0.9804 |
Frag | 10 | -CH2- [linear] | 0.0242 | 0.2419 |
Frag | 2 | -CH- [linear] | -0.1912 | -0.3825 |
L Kow | * | Log Kow = 6.56 (KowWin estimate) | 0.3073 | 2.0149 |
MolWt | * | Molecular weight parameter | -0.6192 | |
Const | * | Equation Constant | -1.5058 | |
Result | Log Bio Half-Life (days) | 1.1734 | ||
Result | Bio Half-Life (days) | 14.91 | ||
Note | Bio Half-Life Normalized to 10 g fish at 15 deg C |
Biotransformation Rate Constant:
kM (Rate Constant): 0.04649 /day (10 gram fish)
kM (Rate Constant): 0.02615 /day (100 gram fish)
kM (Rate Constant): 0.0147 /day (1 kg fish)
kM (Rate Constant): 0.008268 /day (10 kg fish)
Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):
Estimated Log BCF (upper trophic) = 3.477 (BCF = 3000 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 4.871 (BAF = 7.432e+004 L/kg wet-wt)
Estimated Log BCF (mid trophic) = 3.620 (BCF = 4167 L/kg wet-wt)
Estimated Log BAF (mid trophic) = 5.053 (BAF = 1.131e+005 L/kg wet-wt)
Estimated Log BCF (lower trophic) = 3.662 (BCF = 4591 L/kg wet-wt)
Estimated Log BAF (lower trophic) = 5.164 (BAF = 1.458e+005 L/kg wet-wt)
Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):
Estimated Log BCF (upper trophic) = 4.256 (BCF = 1.802e+004 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 6.879 (BAF = 7.57e+006 L/kg wet-wt)
No extractable formaldehyde residues could be detected when analysed immediately after treatment. However during longer post-mortem storage up to 72 hours, significant amounts of extractable formaldehyde were produced biologically due to tissue decomposition.
All data refer to fish muscle tissue.
Formaldehyde
concentration (µg/g) in the fillet tissue of olive flounder
after exposure to 100, 300 and 500 mg/l of formalin for 1 h
(mean ± S.E.; n = 5):
|
Time after exposure (h) |
|||
0 |
24 |
48 |
72 |
|
Control |
0.8 ± 0.1 |
0.8 ± 0.1 |
0.9 ± 0.04 |
0.9 ± 0.02 |
100 mg/l |
0.8 ± 0.1 |
0.7 ± 0.1 |
0.8 ± 0.1 |
0.9 ± 0.02 |
300 mg/l |
1.2 ± 0.2 |
0.8 ± 0.3 |
0.9 ± 0.2 |
0.7 ± 0.2 |
500 mg/l |
1.6 ± 0.2* |
0.8 ± 0.1 |
1.0 ± 0.1 |
0.8 ± 0.1 |
*Significant difference at p 0.05 using Student's t-test to compare between control and treated groups at each sampling times.
Formaldehyde
concentration (µg/g) in the fillet tissue of black rockfish
after exposure to 100, 300 and 500 mg/l of formalin for 1 h
(mean ± S.E.; n = 5):
|
Time after exposure (h) |
|||
0 |
24 |
48 |
72 |
|
Control |
0.9 ± 0.1 |
0.9 ± 0.1 |
0.8 ± 0.1 |
0.9 ± 0.2 |
100 mg/l |
1.0 ± 0.1 |
0.8 ± 0.1 |
0.9 ± 0.04 |
0.8 ± 0.1 |
300 mg/l |
1.2 ± 0.1 |
0.9 ± 0.1 |
0.8 ± 0.1 |
0.7 ± 0.1 |
500 mg/l |
1.4 ± 0.1* |
1.1 ± 0.2 |
0.9 ± 0.1 |
0.8 ± 0.1 |
*Significant difference at p 0.05 using Student's t-test to compare between control and treated groups at each sampling times.
In neither of the two test species a bioaccumulation potential was found for formaldehyde. This is supported by the estimation of bioconcentration using log Pow (cf. 4.7).
No formaldehyde was detected in the muscle, liver or blood plasma (detection limit : 5 µg/g fish tissue, recovery 36-62% with fish tissue)
No BCF values reported
Model domain similarity:
- Parametric domain: 100%
- Structural domain: 73.91% (26.09% unknown)
- Mechanistic domain: 100%
Effects of mitigating factors on BCF:
Acids | 0.0000 |
Metabolism | 2.9376 |
Phenols | 0.0000 |
Size | 0.0000 |
Water solubility | 0.2546 |
The BCF base-line model estimates the log BCF for the test substance at 0.7068 (BCF 5.09).
Summary Results:
Log BCF (regression-based estimate): 2.07 (BCF = 117 L/kg wet-wt)
Biotransformation Half-Life (days) : 2.5 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): 3.03 (BAF = 1.07e+003 L/kg wet-wt)
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: 5.72
Equation Used to Make BCF estimate:
Log BCF = 0.6598 log Kow - 0.333 + Correction
Correction(s): Value
Alkyl chains (8+ -CH2- groups) -1.374
Estimated Log BCF = 2.067 (BCF = 116.7 L/kg wet-wt)
Whole body primary biotransformation rate estimate for fish: | ||||
Type | Num | Log Biotransformation Fragment Description | Coeff | Value |
Frag | 2 | Linear C4 terminal chain [CCC-CH3] | 0.0341 | 0.0682 |
Frag | 1 | Tertiary amine | -0.7829 | -0.7829 |
Frag | 1 | Triazole ring | 0.3225 | 0.3225 |
Frag | 2 | Aromatic-H | 0.2664 | 0.5328 |
Frag | 4 | Methyl [-CH3] | 0.2451 | 0.9804 |
Frag | 11 | -CH2- [linear] | 0.0242 | 0.2661 |
Frag | 2 | -CH- [linear] | -0.1912 | -0.3825 |
L Kow | * | Log Kow = 5.72 (KowWin estimate) | 0.3073 | 1.7581 |
MolWt | * | Molecular weight parameter | -0.8271 | |
Const | * | Equation Constant | -1.5058 | |
Result | Log Bio Half-Life (days) | 0.3985 | ||
Result | Bio Half-Life (days) | 2.503 | ||
Note | Bio Half-Life Normalized to 10 g fish at 15 deg C |
Biotransformation Rate Constant:
kM (Rate Constant): 0.2769 /day (10 gram fish)
kM (Rate Constant): 0.1557 /day (100 gram fish)
kM (Rate Constant): 0.08756 /day (1 kg fish)
kM (Rate Constant): 0.04924 /day (10 kg fish)
Arnot-Gobas BCF & BAF Methods (including biotransformation rate estimates):
Estimated Log BCF (upper trophic) = 2.962 (BCF = 916.2 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 3.028 (BAF = 1066 L/kg wet-wt)
Estimated Log BCF (mid trophic) = 3.093 (BCF = 1239 L/kg wet-wt)
Estimated Log BAF (mid trophic) = 3.359 (BAF = 2286 L/kg wet-wt)
Estimated Log BCF (lower trophic) = 3.132 (BCF = 1355 L/kg wet-wt)
Estimated Log BAF (lower trophic) = 3.653 (BAF = 4496 L/kg wet-wt)
Arnot-Gobas BCF & BAF Methods (assuming a biotransformation rate of zero):
Estimated Log BCF (upper trophic) = 4.270 (BCF = 1.861e+004 L/kg wet-wt)
Estimated Log BAF (upper trophic) = 6.095 (BAF = 1.245e+006 L/kg wet-wt)
Description of key information
No significant accummulation in organisms from the substance or its degradation products is expected.
Key value for chemical safety assessment
Additional information
Evaluation for the original substance (EC no. 401 -280 -0)
No studies on the bioaccumulative potential for the original substance are available. Therefore, three different QSAR calculations have been performed.
1. Catalogic v5.11.2, BCF base-line model v02.05:
BCF = 5.09 L/kg (all mitigating factors applied). The molecule was in the structural domain by 73.91 %.
2. US EPA T.E.S.T. v4.0.1:
BCF = 32.58
3. US EPA EPISuite v4.10, BCFBAFv3.01:
BCF = 117 L/kg wet-wt
Hydrolysis products:
Evaluation for bis(2 -ethylhexyl)amine
No studies on the bioaccumulative potential for that degradation product are available. Therefore, three different QSAR calculations have been performed.
1. Catalogic v5.11.2, BCF base-line model v02.05:
BCF = 13.39 L/kg (all mitigating factors applied). The molecule was in the structural domain by 88.24 %.
2. US EPA T.E.S.T. v4.0.1:
BCF = 115.38
3. US EPA EPISuite v4.10, BCFBAFv3.01:
BCF = 415 L/kg wet-wt
Due to the results of the QSAR calculations, significant accumulation in organisms is not to be expected for the degradation product bis(2 -ethylhexyl)amine.
Evaluation for 1H-1,2,4 -triazole
No studies on the bioaccumulative potential for that degradation product are available. Therefore, two different QSAR calculations have been performed. The structure was not in the structural domain of Catalogic, hence, no further calculations have been performed with this tool.
1. US EPA T.E.S.T. v4.0.1:
BCF = 0.89
2. US EPA EPISuite v4.10, BCFBAFv3.01:
BCF = 3.16 L/kg wet-wt
Due to the results of the QSAR calculations, significant accumulation in organisms is not to be expected for the degradation product 1H-1,2,4 -triazole.
Evaluation for formaldehyde
In tests on different fish species and a shrimp no bioaccumulation of formaldehyde was observed.
One recent study on marine fish is available in which tissue formaldehyde levels after exposure to formaldehyde were investigated (Jung 2001). Elevated formaldehyde levels in muscle tissue (by 0.8 µg/g wet weight) were found only directly after a one-hour treatment at 185 mg/L, but not after a 24-hour or longer depuration period. The results indicate that there is no bioaccumulation in fish.
Based on the physical-chemical properties a
BCF can be calculated. According to TGD (EC 2003, part II, chapter 3, p.
126) a BCFfish for substances with a log Pow < 6 can be
calculated using the following QSAR developed by Veith et al. (1979):
log BCFfish = 0.85 · log Pow – 0.7
Applying the experimentally derived log Pow for formaldehyde of 0.35
(Hansch et al., 1995) results in
log BCFfish (formaldehyde) = 0.85 · 0.35 – 0.7
log BCFfish (formaldehyde) = – 0.403
BCFfish (formaldehyde) = 0.396
As measured data are limited, default values can be used for deriving a
BMF according to TGD (EC 2003, part II, chapter 3, p. 127).
Applying the experimentally derived log Pow for formaldehyde of 0.35
(Hansch et al. 1995) and the BCFfish estimated above results
in
BMF (formaldehyde) = 1.
Due to the result, formaldehyde is not expected to accumulate in biota.
Additionally, different tests show no significant concentrations of
formaldehyde in fish.
In tests on 4 fish species, no formaldehyde was detected in the muscle, liver or blood plasma (Sills 1979).
In a test on a marine shrimp, no extractable formaldehyde residues could be detected when analysed immediately after treatment (Hose 1980). However during longer post-mortem storage up to 72 hours, significant amounts of extractable formaldehyde were produced biologically due to tissue decomposition.
In conclusion, none of the identified degradation products are expected to significantly accumulate in organisms.
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