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EC number: 201-719-4 | CAS number: 87-03-6
- 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
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: screening tests
- 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 limited documentation / justification
- Justification for type of information:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- Principles of method if other than guideline:
- The data is predicted using the OECD QSAR toolbox version 3.4 with logKow as the primary descriptor.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material: 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid
- Molecular formula: C20H15NO8S2
- Molecular weight: 461.47 g/mol
- Smiles notation: O=S(=O)(O)c1cc(O)c2c(cc(Nc3ccc4c(cc(S(=O)(=O)O)cc4O)c3)cc2)c1
- InChl: 1S/C20H15NO8S2/c22-19-9-15(30(24,25)26)7-11-5-13(1-3-17(11)19)21-14-2-4-18-12(6-14)8-16(10-20(18)23)31(27,28)29/h1-10,21-23H,(H,24,25,26)(H,27,28,29)
- Substance type: Organic
- Physical state: Solid - Oxygen conditions:
- aerobic
- Inoculum or test system:
- other: Microorganisms
- Duration of test (contact time):
- 28 d
- Based on:
- not specified
- Parameter followed for biodegradation estimation:
- other: BOD
- Key result
- Parameter:
- other: BOD
- Value:
- 0.5
- Sampling time:
- 28 d
- Remarks on result:
- other: Other details not known
- Details on results:
- Test substance undergoes 0.5% degradation by BOD in 28 days.
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- under test conditions no biodegradation observed
- Conclusions:
- The test chemical 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid was estimated to be not readily biodegradable in water.
- Executive summary:
Biodegradability of 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid (CAS no. 87 -03 -6) is predicted using OECD QSAR toolbox version 3.4 with logKow as the primary descriptor. Test substance undergoes 0.5% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 4 -hydroxy-7 -[(5 -hydroxy-7 -sulfonaphthalen-2 -yl)amino]naphthalene-2-sulfonic acid was estimated to be not readily biodegradable in water.
Reference
The
prediction was based on dataset comprised from the following
descriptors: BOD
Estimation method: Takes average value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
(((((("a"
or "b" or "c" or "d" )
and "e" )
and "f" )
and "g" )
and "h" )
and ("i"
and "j" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Very strong binder, OH group by
Estrogen Receptor Binding
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as AN2 AND AN2 >> Michael-type
addition to quinoid structures AND AN2 >> Michael-type addition to
quinoid structures >> N-Substituted Aromatic Amines AND AN2 >>
Michael-type addition to quinoid structures >> Substituted Phenols by
Protein binding by OASIS v1.4
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Class 2 (less inert compounds)
by Acute aquatic toxicity classification by Verhaar (Modified)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Phenols, Poly by
Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as days - weeks by Biodeg primary
(Biowin 4) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 1) ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Not calculated by Hydrolysis
half-life (pH 6.5-7.4) ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "i"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is >= 171
Da
Domain
logical expression index: "j"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is <= 549
Da
Description of key information
Biodegradability of 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid (CAS no. 87 -03 -6) is predicted using OECD QSAR toolbox version 3.4 (2017) with logKow as the primary descriptor. Test substance undergoes 0.5% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 4 -hydroxy-7 -[(5 -hydroxy-7 -sulfonaphthalen-2 -yl)amino]naphthalene-2-sulfonic acid was estimated to be not readily biodegradable in water.
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
Additional information
Various predicted data for the target compound 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid(CAS No. 87-03-6) and supporting weight of evidence studies for its read across substance were reviewed for the biodegradation end point which are summarized as below:
In a predicted data done by SSS (2017) using OECD QSAR toolbox version 3.4 with logKow as the primary descriptor, percentage biodegradability of test chemical 4-hydroxy-7-[(5- hydroxy-7 -sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid(CAS No. 87-03-6) was estimated.Test substance undergoes 0.5% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical 4 -hydroxy-7 -[(5 -hydroxy-7 -sulfonaphthalen-2 -yl)amino]naphthalene-2-sulfonic acid was estimated to be not readily biodegradable in water.
In another prediction using the Estimation Programs Interface Suite (EPI suite, 2017), the biodegradation potential of the test compound 4 -hydroxy-7 -[(5 -hydroxy-7 -sulfonaphtha len-2 -yl)amino]naphthalene-2 -sulfonic acid(CAS No. 87-03-6) in the presence of mixed populations of environmental microorganisms was estimated.The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI Linear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that chemical 4 -hydroxy-7 -[(5 -hydroxy-7 -sulfonaphthalen-2 -yl)amino]naphthalene-2 -sulfonic acid is expected to be not readily biodegradable.
In a supporting weight of evidence study from peer reviewed journal (U. Pagga and O. Brown; 1986) for the read across chemical Tetrasodium 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl] -4,4'-diyl)bis(azo)]bis[4,5-dihydroxynaphthalene-2,7-disulphonate] (CAS no. 4198-19-0), biodegradation experiment was carried out for 42 days for evaluating the percentage biodegradation of the read across chemical Tetrasodium 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo) ]bis[4,5 -dihydroxynaphthalene-2,7 -disulphonate] using modified OECD Guideline 302B. Activated sludge was used as a test inoculum.The sources of the activated sludge were treatment plants conveniently located to the laboratories carrying out the test.These treatment plants received communal and/or industrial wastewater. Concentration of inoculum i.e, activated sludge used was 0.5 g/l and initial test substance conc. used in the study was 100 mg/l. Analytical methods involve the measurement of extinction at absorption maximum 412 nm and DOC (dissolved organic carbon). The percentage degradation of the test substance Tetrasodium 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl] -4,4'-diyl)bis(azo)]bis[4,5 -dihydroxynaphthalene-2,7 -disulphonate] was determined to be -17% by using DOC removal parameter in 42 days. Thus, based on percentage degradation, the chemical Tetrasodium 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxy naphthalene-2,7-disulphonate] was considered to be not readily biodegradable in nature.
For the read across chemical disodium 7-amino-4-hydroxy-3-[(E)-2-(4-{4-[(E)-2-(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazen-1-yl]-3-methoxyphenyl}-2-methoxyphenyl)diazen-1 -yl]naphthalene-2-sulfonate (CAS no. 6449-35-0), biodegradation study was carried out for 42 days for evaluating the percentage biodegradation of the read across chemical disodium 7 -amino-4 -hydroxy-3 -[(E)-2 -(4 -{4 -[(E)-2 -(1 -hydroxy-4 -sulfonatonaphthalen-2 -yl)diazen-1 -yl]-3 -methoxyphenyl}-2 -methoxyphenyl)diazen-1 -yl]naphthalene-2-sulfonate using modified OECD Guideline 302B (U. Pagga and O. Brown; 1986). Activated sludge was used as a test inoculum.The sources of the activated sludge were treatment plants conveniently located to the laboratories carrying out the test.These treatment plants received communal and/or industrial wastewater. Concentration of inoculum i.e, activated sludge used was 0.5 g/l and initial test substance conc. used in the study was 100 mg/l. Analytical methods involve the measurement of extinction at absorption maximum 412 nm and DOC (dissolved organic carbon).The percentage degradation of the test substance disodium 7 -amino-4 -hydroxy-3 -[(E)-2 -(4 -{4 -[(E)-2 -(1 -hydroxy-4 -sulfonatonaphthalen-2 -yl)diazen-1 -yl]-3 -methoxyphenyl}-2 -methoxyphenyl)diazen-1 -yl]naphthalene-2 -sulfonate was determined to be 44% by using DOC removal parameter in 42 days. Thus, based on percentage degradation, the chemical disodium 7 -amino-4 -hydroxy-3 -[(E)-2 -(4 -{4 -[(E)-2 -(1 -hydroxy-4 -sulfonatonaphthalen-2 -yl)diazen-1 -yl]-3 -methoxyphenyl}-2 -methoxyphenyl)diazen-1 -yl]naphthalene-2 -sulfonate was considered to be not readily biodegradable in nature.
In a supporting weight of evidence study from authoritative database (J-CHECK, 2017) for the read across chemical disodium 4-hydroxy-7-{[(5-hydroxy-7-sulfonato-2-naphthyl)carba moyl]amino}naphthalene-2-sulfonate (CAS no. 20324-87-2), biodegradation experiment was conducted for 14 days for evaluating the percentage biodegradability of read across substance disodium 4 -hydroxy-7 -{[(5 -hydroxy-7 -sulfonato-2 -naphthyl)carbamoyl]amino}naphthalene-2 -sulfonate. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of substance disodium 4 -hydroxy-7 -{[(5 -hydroxy-7 -sulfonato-2 -naphthyl) carbamoyl]amino}naphthalene-2 -sulfonate was determined to be 0 and 1.3% by BOD and TOC removal parameter in 14 days. Thus, based on percentage degradation, disodium 4 -hydroxy-7 -{[(5 -hydroxy-7 -sulfonato-2 -naphthyl)carbamoyl]amino}naphthalene-2 -sulfonate is considered to be not readily biodegradable in nature.
Another biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of read across substance Tetrasodium 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl] -4,4'-diyl)bis(azo) ]bis[5 -amino-4 -hydroxynaphthalene-2,7 -disulphonate] (CAS no. 2429 -74 -5) (J-CHECK and HSDB, 2017). The study was performed according to OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I)) under aerobic conditions. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of substance Tetrasodium 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxy naphthalene-2,7-disulphonate] was determined to be 4, 1 and 2% by BOD, TOC removal and HPLC parameter in 28 days. Thus, based on percentage degradation, Tetrasodium 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)] bis[5-amino-4-hydroxynaphthalene-2,7-disulphonate] is considered to be not readily biodegradable in nature.
On the basis of above results for target chemical 4-hydroxy-7-[(5-hydroxy-7-sulfonaphthalen-2-yl)amino]naphthalene-2-sulfonic acid(from OECD QSAR toolbox version 3.4 and EPI suite, 2017) and for its read across substance (from peer reviewed journal and authoritative databases J-CHECK & HSDB), it can be concluded that the test substance 4 -hydroxy-7 -[(5 -hydroxy-7 -sulfonaphthalen-2 -yl)amino]naphthalene-2 -sulfonic acid can be expected to be not readily biodegradable in nature.
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