Registration Dossier
Registration Dossier
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EC number: 299-370-6 | CAS number: 93859-32-6
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: EPI suite estimation
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:
- according to guideline
- Guideline:
- other: Modelling database
- Principles of method if other than guideline:
- BCFBAF Program (v3.00)
- GLP compliance:
- no
Test material
- Reference substance name:
- Sodium 5-(aminosulphonyl)-2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]benzoxazolesulphonate
- EC Number:
- 299-370-6
- EC Name:
- Sodium 5-(aminosulphonyl)-2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]benzoxazolesulphonate
- Cas Number:
- 93859-32-6
- Molecular formula:
- C20H19N3O8S2.Na
- IUPAC Name:
- sodium 2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]-5-sulfamoyl-2,3-dihydro-1,3-benzoxazole-2-sulfonate
- Reference substance name:
- Sodium 5-(aminosulphonyl)-2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazolesulphonate
- IUPAC Name:
- Sodium 5-(aminosulphonyl)-2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazolesulphonate
- Test material form:
- solid: particulate/powder
- Remarks:
- migrated information: powder
- Details on test material:
- - Name of test material (as cited in study report): Sodium 5-(aminosulphonyl)-2-(7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl)benzoxazolesulphonate- Molecular formula (if other than submission substance): C20H19N3O8S2.Na
Constituent 1
Constituent 2
- Radiolabelling:
- not specified
Sampling and analysis
- Details on sampling:
- Estimated data
Test solutions
- Vehicle:
- no
- Details on preparation of test solutions, spiked fish food or sediment:
- Estimated data
Test organisms
- Test organisms (species):
- other: Fish
Study design
- Route of exposure:
- aqueous
- Test type:
- not specified
- Water / sediment media type:
- not specified
- Remarks:
- freshwater
Test conditions
- Hardness:
- No data
- Test temperature:
- No data
- pH:
- No data
- Dissolved oxygen:
- No data
- TOC:
- No data
- Salinity:
- No data
- Nominal and measured concentrations:
- No data
- Reference substance (positive control):
- not specified
Results and discussion
Bioaccumulation factor
- Type:
- BCF
- Value:
- 3.16 L/kg
- Calculation basis:
- other: Regression-based estimate
- Remarks on result:
- other: No further information available
Any other information on results incl. tables
==============================
SMILES : O=C1C(C4(S(=O)(=O)O)Nc3c(ccc(S(N)(=O)=O)c3)O4)=Cc2c(cc(N(CC)CC)cc2)O1
CHEM : sodium 5-(aminosulphonyl)-2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3
-yl]benzoxazolesulphonate
MOL FOR: C20 H21 N3 O8 S2
MOL WT : 495.53
--------------------------------- BCFBAF v3.01 --------------------------------
Summary Results:
Log BCF (regression-based estimate): 0.50 (BCF = 3.16 L/kg wet-wt)
Biotransformation Half-Life (days) : 0.00201 (normalized to 10 g fish)
Log BAF (Arnot-Gobas upper trophic): -0.04 (BAF = 0.905 L/kg wet-wt)
Log Kow (experimental): not available from database
Log Kow used by BCF estimates: -0.21
11
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 bioaccumulation (BCF) value of sodium 5-(aminosulphonyl)-2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]benzoxazolesulphonate is estimated to be 3.16 L/kg wet-wt, (Log BCF: 0.50) indicating that the substance is non-bioaccumulative.
- Executive summary:
Bioaccumulation (BCF) value of the substance sodium 5-(aminosulphonyl)-2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]benzoxazolesulphonate was calculated using the software BCFBAF (v3.01).
The bioaccumulation (BCF) value of sodium 5-(aminosulphonyl)-2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]benzoxazolesulphonate is estimated to be 3.16 L/kg wet-wt, (Log BCF: 0.50) indicating that the substance is non-bioaccumulative.
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