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EC number: 204-982-3 | CAS number: 130-23-4
Bioaccumulation: aquatic / sediment
Administrative data
- Endpoint:
- bioaccumulation in aquatic species, other
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: data from EPISUITE
Data source
Reference
- Reference Type:
- other: Prediction model
- Title:
- Bioaccumulation by EPI (Estimation Programs Interface) Suite
- Author:
- Sustainability Support Service (Europe) AB - estimated
- Year:
- 2 016
- Bibliographic source:
- Estimation Programs Interface Suite™ United States Environmental Protection Agency, Washington, DC, USA. version 4.1
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- BCFBAF Program (v3.01)
- GLP compliance:
- not specified
Test material
- Reference substance name:
- 4-amino-5-hydroxynaphthalene-1,7-disulphonic acid
- EC Number:
- 204-982-3
- EC Name:
- 4-amino-5-hydroxynaphthalene-1,7-disulphonic acid
- Cas Number:
- 130-23-4
- Molecular formula:
- C10H9NO7S2
- IUPAC Name:
- 4-amino-5-hydroxynaphthalene-1,7-disulfonic acid
- Reference substance name:
- 204-982-5
- IUPAC Name:
- 204-982-5
- Reference substance name:
- 4 Amino 5 hydroxynaphthalene 1,7 disulphonic acid
- IUPAC Name:
- 4 Amino 5 hydroxynaphthalene 1,7 disulphonic acid
- Details on test material:
- Name of test material (as cited in study report): 4 Amino 5 hydroxynaphthalene 1,7 disulphonic
acid
Molecular formula (if other than submission substance): C10 H9 N1 O7 S2
Molecular weight (if other than submission substance): 319.31
Smiles notation (if other than submission substance): c12c(O)cc(S(=O)(=O)O)cc1c(S(=O)(=O)O)ccc2N
InChl (if other than submission substance): 1S/C10H9NO7S2/c117129(20(16,17)18)
635(19(13,14)15)48(12)10(6)7/h14,12H,11H2,
(H,13,14,15)(H,16,17,18)
Substance type: Organic
Constituent 1
Constituent 2
Constituent 3
- Specific details on test material used for the study:
- Details on properties of test surrogate or analogue material (migrated information):
estimated data - Radiolabelling:
- not specified
Test solutions
- Vehicle:
- not specified
- Details on preparation of test solutions, spiked fish food or sediment:
- estimated data
Test organisms
- Test organisms (species):
- other: fish
- Details on test organisms:
- estimated data
Study design
- Route of exposure:
- aqueous
- Test type:
- static
- Water / sediment media type:
- not specified
- Remarks:
- freshwater
Test conditions
- Hardness:
- estimated data
- Reference substance (positive control):
- not specified
Results and discussion
Bioaccumulation factor
- Type:
- BCF
- Value:
- 3.162 L/kg
- Basis:
- other: estimated data
- Calculation basis:
- other: estimated data
- Remarks on result:
- other: Regression-based estimate
Any other information on results incl. tables
BCFBAF v 3.01 Summary
Log BCF (regression-based estimate)= 0.50 (BCF = 3.16 L/kg wet-wt)
Biotransformation Half-Life (days) = 0.00036 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic) = -0.05 (BAF = 0.893 L/kg wet-wt)
Log Kow (experimental)= not available from database
Log Kow used by BCF estimates = -2.33
Equation Used to Make BCF estimate:
Log BCF = 0.50 (Ionic; Log Kow dependent)
Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt) BCFBAF v 3.01 Summary
Log BCF (regression-based estimate)= 0.50 (BCF = 3.16 L/kg wet-wt)
Biotransformation Half-Life (days) = 0.00036 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic) = -0.05 (BAF = 0.893 L/kg wet-wt)
Log Kow (experimental)= not available from database
Log Kow used by BCF estimates = -2.33
Equation Used to Make BCF estimate:
Log BCF = 0.50 (Ionic; Log Kow dependent)
Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt)
Applicant's summary and conclusion
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The estimated BCF for the test chemical is 3.162 L/kg wet-wt
- Executive summary:
Bioaccumulation potential of the test chemical was estimated byBCFBAF v3.01 Program from EPISuite Version 4.1.
BCFBAF v 3.01 Summary
Log BCF (regression-based estimate)= 0.50 (BCF = 3.16 L/kg wet-wt)
Biotransformation Half-Life (days) = 0.00036 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic) = -0.05 (BAF = 0.893 L/kg wet-wt)
Log Kow (experimental)= not available from database
Log Kow used by BCF estimates = -2.33
Equation Used to Make BCF estimate:
Log BCF = 0.50 (Ionic; Log Kow dependent)
Estimated Log BCF = 0.500 (BCF = 3.162 L/kg wet-wt)
The estimated BCF for the test chemical is 3.162 L/kg wet-wt
Based on the classification criterion for PBT, the test chemical was found to non- bioaccumulative.
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