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EC number: 279-256-2 | CAS number: 79771-28-1
- 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: fish
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Remarks:
- experimental data of read across substances
- Justification for type of information:
- Data for the target chemical is summarized based on the structurally similar read across chemicals
- Reason / purpose for cross-reference:
- read-across source
- Reason / purpose for cross-reference:
- read-across source
- Qualifier:
- according to guideline
- Guideline:
- other: as mentioned below
- Principles of method if other than guideline:
- WoE report is based on two hydrolysis studies as-
1. and 2. - GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt
- Molecular formula: C52H38Cl2N16O24S6.6Na
- Molecular weight: 1666.15 g/mol
- Smiles notation: c1cc2c(c(S([O-])(=O)=O)c1NCCNc1nc(nc(n1)[n+]1cccc(c1)C([O-])=O)Nc1cc(S([O-])(=O)=O)ccc1S([O-])(=O)=O)Oc1c(c3=Nc4c(Oc3c(c1=N2)Cl)c(S([O-])(=O)=O)c(NCCNc1nc(Nc2cc(ccc2S([O-])(=O)=O)S([O-])(=O)=O)nc(n1)[n+]1cccc(c1)C([O-])=O)cc4)Cl.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
- InChl: 1S/C52H38Cl2N16O24S6.6Na/c53-35-38-42(94-40-28(60-38)8-10-30(44(40)100(90,91)92)56-14-16-58-48-64-50(68-52(66-48)70-18-2-4-24(22-70)46(73)74)62-32-20-26(96(78,79)80)6-12-34(32)98(84,85)86)36(54)37-41(35)93-39-27(59-37)7-9-29(43(39)99(87,88)89)55-13-15-57-47-63-49(67-51(65-47)69-17-1-3-23(21-69)45(71)72)61-31-19-25(95(75,76)77)5-11-33(31)97(81,82)83;;;;;;/h1-12,17-22H,13-16H2,(H12-2,55,56,57,58,59,60,61,62,63,64,65,66,67,68,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92);;;;;;/q;6*+1/p-6
- Substance type: Organic
- Physical state: Solid - Radiolabelling:
- not specified
- Vehicle:
- yes
- Remarks:
- 1. not specified and 2. Dimethyl sulfoxide was used as a vehicle.
- Details on preparation of test solutions, spiked fish food or sediment:
- 1. No data available
2. PREPARATION AND APPLICATION OF TEST SOLUTION (especially for difficult test substances) - Name and concentration of vehicle : Dimethyl sulfoxide, 1st Concentration area : 6000 ppb(w/v), 2nd Concentration area : 600 ppb(w/v) - Test organisms (species):
- Cyprinus carpio
- Route of exposure:
- aqueous
- Test type:
- static
- Water / sediment media type:
- natural water: freshwater
- Total exposure / uptake duration:
- 6 wk
- Details on test conditions:
- 1. RANGE-FINDING / PRELIMINARY STUDY
- Test concentrations: TLm (48 hr) ≥ 1000 ppm (w/v), Rice fish (Oryzias latipes)
2. RANGE-FINDING / PRELIMINARY STUDY
- Test concentrations: TLm (48 hr) ≥ 50 ppm (w/v), Rice fish (Oryzias latipes) - Nominal and measured concentrations:
- 1.
Nominal concentrations:
1st concentration area: 2.0 mg/l (ppm) (w/v)
2nd concentration area: 0.2 mg/l (ppm) (w/v)
2.
Nominal concentrations:
1st concentration area: 0.2 mg/l (200 ppb) (w/v)
2nd concentration area: 0.02 mg/l (20 ppb) (w/v) - Reference substance (positive control):
- not specified
- Lipid content:
- 5 %
- Remarks on result:
- other: 1. Other details not known
- Remarks on result:
- other: 2. No data available
- Conc. / dose:
- 2 mg/L
- Type:
- BCF
- Value:
- > 0.6 - < 1.8 L/kg
- Basis:
- total lipid content
- Time of plateau:
- 6 wk
- Remarks on result:
- other: 1. Other details not known
- Conc. / dose:
- 0.2 mg/L
- Type:
- BCF
- Value:
- <= 5.5 L/kg
- Basis:
- total lipid content
- Time of plateau:
- 6 wk
- Remarks on result:
- other: 1. Other details not known
- Conc. / dose:
- 0.2 mg/L
- Type:
- BCF
- Value:
- > 1.4 - < 4.7 L/kg
- Basis:
- whole body w.w.
- Time of plateau:
- 6 wk
- Remarks on result:
- other: 2. Other details not known
- Conc. / dose:
- 0.02 mg/L
- Type:
- BCF
- Value:
- > 6.4 - < 28 L/kg
- Basis:
- whole body w.w.
- Time of plateau:
- 6 wk
- Remarks on result:
- other: 2. Other details not known
- Validity criteria fulfilled:
- not specified
- Conclusions:
- On the basis of the experimental studies of the structurally and functionally similar read across chemical and applying the weight of evidence approach, the bioaccumulation factor (BCF value) of the test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt can be expected to be range from 0.6 – 1.8 L/Kg at a conc. of 2.0 mg/l and ≤ 5.5 L/Kg at a conc. of 0.2 mg/l on the basis of total lipid content, respectively or 1.4 – 4.7 L/Kg at a conc. of 0.2 mg/l and ≤ 6.4 – 28 L/Kg at a conc. of 0.02 mg/l on the basis of whole body wieght of test organism, respectively. Thus, based on this, test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxa zinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2- diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt is considered to be non-bioaccumulative in aquatic organisms.
- Executive summary:
Data available for the structurally and functionally similar read across chemicals has been reviewed to determine the bioaccumulation potential in aquatic organisms of the test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11- disulfo-3,10 -triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt (CAS no. 79771 -28 -1). The studies are as mentioned below:
Bioaccumulation study was conducted on test organism Cyprinus carpiofor 6 weeks for evaluating the bioconcentration factor (BCF value) of test substance.The study was performed according to other guideline"Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively.Cyprinus carpio was used as a test organism for the study. Details on analytical methods involve the recovery ratio: Test water: 1st concentration area : 97.6%, 2nd concentration area : 94.8%, Fish: 71.9%, - Limit of quantitation: Test water: 1st concentration area : 0.14 ppm, 2nd concentration area : 0.015 ppm, Fish : 1.1 ppm. Test chemical nominal conc. used for the study were 2.0 mg/land 0.2 mg/l, respectively. Range finding study involve the TLm (48 hr) ≥ 1000 ppm (w/v) on Rice fish (Oryzias latipes). Lipid content of the test organism was determined to be 5.0%.The bioconcentration factor (BCF value) of test substance on Cyprinus carpio was determined to be in the range of 0.6 – 1.8 L/Kg at a conc. of 2.0 mg/l and ≤ 5.5 L/Kg at a conc. of 0.2 mg/l, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.
In an another study, the bioaccumulation experiment was conducted on test organism Cyprinus carpiofor 6 weeks for evaluating the bioconcentration factor (BCF value) of test substance. The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances”. Cyprinus carpio was used as a test organism for the study. Details on analytical methods involve the recovery ratio: Test water: 1st concentration area : 94.6%, 2nd concentration area : 91.3%, Fish: 85.9%, - Limit of quantitation: Fish : 0.093 ppm. Test chemical nominal conc. used for the study were 0.2 mg/land 0.02 mg/l, respectively. Dimethyl sulfoxide was used as a vehicle in the study. Range finding study involve the TLm (48 hr) ≥ 50 ppm (w/v) on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of test substance on Cyprinus carpio was determined to be in the range of 1.4 – 4.7 L/Kg at a conc. of 0.2 mg/l and ≤ 6.4 – 28 L/Kg at a conc. of 0.02 mg/l, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that test chemical is not expected to bioaccumulate in the food chain.
On the basis of the experimental studies of the structurally and functionally similar read across chemical and applying the weight of evidence approach, the bioaccumulation factor (BCF value) of the test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt can be expected to be range from 0.6 – 1.8 L/Kg at a conc. of 2.0 mg/l and ≤ 5.5 L/Kg at a conc. of 0.2 mg/l on the basis of total lipid content, respectively or 1.4 – 4.7 L/Kg at a conc. of 0.2 mg/l and ≤ 6.4 – 28 L/Kg at a conc. of 0.02 mg/l on the basis of whole body wieght of test organism, respectively. Thus, based on this, test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxa zinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2- diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt is considered to be non-bioaccumulative in aquatic organisms.
Reference
1.
Bioaccumulation test results:
|
2 W |
3 W |
4 W |
6 W |
|
1st Concentration area
|
Test substance concentration (ppm (w/v) |
1.87 |
1.89 |
1.94 |
1.92 |
Bioconcentration factor (L/kg) |
1.3 |
1.8 |
≤ 0.6 |
≤ 0.6 |
|
1.7 |
0.7 |
≤ 0.6 |
0.6 |
||
2nd Concentration area
|
Test substance concentration (ppm (w/v) |
0.207 |
0.204 |
0.204 |
0.198 |
Bioconcentration factor (L/kg) |
≤ 5.5 |
≤ 5.5 |
≤ 5.5 |
≤ 5.5 |
|
≤ 5.5 |
≤ 5.5 |
≤ 5.5 |
≤ 5.5 |
2.
Bioaccumulation test results:
|
2 W |
3 W |
4 W |
6 W |
|
1st Concentration area
|
Test substance concentration (ppb (w/v) |
151 |
153 |
149 |
151 |
Bioconcentration factor (L/kg) |
3.5 |
1.4 |
2.6 |
4.7 |
|
1.7 |
1.8 |
4.5 |
3.7 |
||
2nd Concentration area
|
Test substance concentration (ppb (w/v) |
14.5 |
15.0 |
14.5 |
14.5 |
Bioconcentration factor (L/kg) |
≤ 6.4 |
9.9 |
7.3 |
28 |
|
9.7 |
7.4 |
13 |
17 |
Description of key information
On the basis of the experimental studies of the structurally and functionally similar read across chemical and applying the weight of evidence approach, the bioaccumulation factor (BCF value) of the test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt can be expected to be range from 0.6 – 1.8 L/Kg at a conc. of 2.0 mg/l and ≤ 5.5 L/Kg at a conc. of 0.2 mg/l on the basis of total lipid content, respectively or 1.4 – 4.7 L/Kg at a conc. of 0.2 mg/l and ≤ 6.4 – 28 L/Kg at a conc. of 0.02 mg/l on the basis of whole body wieght of test organism, respectively. Thus, based on this, test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxa zinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2- diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt is considered to be non-bioaccumulative in aquatic organisms.
Key value for chemical safety assessment
Additional information
Data available for the structurally and functionally similar read across chemicals has been reviewed to determine the bioaccumulation potential in aquatic organisms of the test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11- disulfo-3,10 -triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt (CAS no. 79771 -28 -1). The studies are as mentioned below:
Bioaccumulation study was conducted on test organism Cyprinus carpiofor 6 weeks for evaluating the bioconcentration factor (BCF value) of test substance.The study was performed according to other guideline"Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances", respectively.Cyprinus carpio was used as a test organism for the study. Details on analytical methods involve the recovery ratio: Test water: 1st concentration area : 97.6%, 2nd concentration area : 94.8%, Fish: 71.9%, - Limit of quantitation: Test water: 1st concentration area : 0.14 ppm, 2nd concentration area : 0.015 ppm, Fish : 1.1 ppm. Test chemical nominal conc. used for the study were 2.0 mg/land 0.2 mg/l, respectively. Range finding study involve the TLm (48 hr) ≥ 1000 ppm (w/v) on Rice fish (Oryzias latipes). Lipid content of the test organism was determined to be 5.0%.The bioconcentration factor (BCF value) of test substance on Cyprinus carpio was determined to be in the range of 0.6 – 1.8 L/Kg at a conc. of 2.0 mg/l and ≤ 5.5 L/Kg at a conc. of 0.2 mg/l, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that the test chemical is not expected to bioaccumulate in the food chain.
In an another study, the bioaccumulation experiment was conducted on test organism Cyprinus carpiofor 6 weeks for evaluating the bioconcentration factor (BCF value) of test substance. The study was performed according to other guideline "Bioaccumulation test of a chemical substance in fish or shellfish" provided in "the Notice on the Test Method Concerning New Chemical Substances”. Cyprinus carpio was used as a test organism for the study. Details on analytical methods involve the recovery ratio: Test water: 1st concentration area : 94.6%, 2nd concentration area : 91.3%, Fish: 85.9%, - Limit of quantitation: Fish : 0.093 ppm. Test chemical nominal conc. used for the study were 0.2 mg/land 0.02 mg/l, respectively. Dimethyl sulfoxide was used as a vehicle in the study. Range finding study involve the TLm (48 hr) ≥ 50 ppm (w/v) on Rice fish (Oryzias latipes).The bioconcentration factor (BCF value) of test substance on Cyprinus carpio was determined to be in the range of 1.4 – 4.7 L/Kg at a conc. of 0.2 mg/l and ≤ 6.4 – 28 L/Kg at a conc. of 0.02 mg/l, respectively, which does not exceed the bioconcentration threshold of 2000, indicating that test chemical is not expected to bioaccumulate in the food chain.
On the basis of the experimental studies of the structurally and functionally similar read across chemical and applying the weight of evidence approach, the bioaccumulation factor (BCF value) of the test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt can be expected to be range from 0.6 – 1.8 L/Kg at a conc. of 2.0 mg/l and ≤ 5.5 L/Kg at a conc. of 0.2 mg/l on the basis of total lipid content, respectively or 1.4 – 4.7 L/Kg at a conc. of 0.2 mg/l and ≤ 6.4 – 28 L/Kg at a conc. of 0.02 mg/l on the basis of whole body wieght of test organism, respectively. Thus, based on this, test chemical Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxa zinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2- diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt is considered to be non-bioaccumulative in aquatic organisms.
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