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EC number: 246-758-8 | CAS number: 25251-42-7
- 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:
- prediction was done by using OECD QSAR tool box v.3.3
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name (IUPAC): 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid
- Molecular formula: C16H13NO7S2
- Molecular weight: 395.4107 g/mol
- Smiles notation: c1cc(cc(c1)S(=O)(=O)O)Nc2ccc3cc(cc(c3c2)O)S(=O)(=O)O
- InChl : 1S/C16H13NO7S2/c18-16-9-14(26(22,23)24)6-10-4-5-12(8-15(10)16)17-11-2-1-3-13(7-11)25(19,20)21/h1-9,17-18H,(H,19,20,21)(H,22,23,24)
- Substance type: Organic
-Physical state: light grey coloured crystalline solid - Oxygen conditions:
- aerobic
- Inoculum or test system:
- other: microorganisma
- Duration of test (contact time):
- 28 d
- Parameter followed for biodegradation estimation:
- other: BOD
- Parameter:
- other: BOD
- Value:
- 4.48
- Sampling time:
- 28 d
- Remarks on result:
- other: other details not available
- Details on results:
- The test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid showed 4.48 % biodegradability by considering BOD as parameter in 28 days.
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- The test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid showed 4.48 % biodegradability by considering BOD as parameter and microorganisms as inoculum in 28 days. Since percent biodegradability is very low it is concluded that this test chemical is not readily biodegradable.
- Executive summary:
Biodegradability of test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS No: 25251-42-7) is predicted using OECD QSAR tool box v.3.3 using log Kow as primary descriptor. The test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid showed 4.48 % biodegradability by considering BOD as parameter and microorganisms as inoculum in 28 days. Since percent biodegradability is very low it is concluded that this test chemical is not readily biodegradable.
Reference
The
prediction was based on dataset comprised from the following
descriptors: BOD
Estimation method: Takes average value from the 5 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"
and (
not "k")
)
)
and "l" )
and "m" )
and ("n"
and "o" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aromatic amine OR Aryl OR Fused
carbocyclic aromatic OR Naphtalene OR Phenol OR Sulfonic acid by Organic
Functional groups ONLY
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aromatic amine OR Aryl OR Fused
carbocyclic aromatic OR Naphtalene OR Overlapping groups OR Phenol OR
Sulfonic acid by Organic Functional groups (nested) ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Alcohol, olefinic attach [-OH]
OR Aliphatic Nitrogen, two aromatic attach [-N-] OR Aromatic Carbon [C]
OR Hydroxy, aromatic attach [-OH] OR Hydroxy, sulfur attach [-OH] OR
Miscellaneous sulfide (=S) or oxide (=O) OR Nitrogen, two or tree
olefinic attach [>N-] OR Olefinic carbon [=CH- or =C<] OR Oxygen, one
aromatic attach [-O-] OR Suflur {v+4} or {v+6} OR Sulfinic acid
[-S(=O)OH] OR Sulfonate, aromatic attach [-SO2-O] by Organic functional
groups (US EPA) ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Amine OR Aromatic compound OR
Hydroxy compound OR Phenol OR Secondary amine OR Secondary aromatic
amine OR Sulfonic acid OR Sulfonic acid derivative by Organic functional
groups, Norbert Haider (checkmol) ONLY
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Not calculated by Biodeg BioHC
half-life (Biowin) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as days - weeks by Biodeg primary
(Biowin 4) ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 5) ONLY
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 7) ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as weeks - months by Biodeg
ultimate (Biowin 3) ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Michael addition OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals OR Michael addition >> P450 Mediated Activation to Quinones
and Quinone-type Chemicals >> Alkyl phenols OR Michael addition >> P450
Mediated Activation to Quinones and Quinone-type Chemicals >> Arenes OR
SN1 OR SN1 >> Carbenium Ion Formation OR SN1 >> Carbenium Ion Formation
>> Allyl benzenes OR SN1 >> Nitrenium Ion formation OR SN1 >> Nitrenium
Ion formation >> Secondary aromatic amine OR SN1 >> Nitrenium Ion
formation >> Tertiary aromatic amine OR SN1 >> Nitrosation-SN1 OR SN1 >>
Nitrosation-SN1 >> N-Nitroso-SN1 OR SN2 OR SN2 >> Direct Acting Epoxides
and related OR SN2 >> Direct Acting Epoxides and related >> Epoxides by
DNA binding by OECD
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Class 5 (Not possible to
classify according to these rules) by Acute aquatic toxicity
classification by Verhaar (Modified) ONLY
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is >= 295
Da
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is <= 417
Da
Description of key information
Biodegradation in water:
Biodegradability of test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS No: 25251-42-7) is predicted using OECD QSAR tool box v.3.3 using log Kow as primary descriptor. The test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid showed 4.48 % biodegradability by considering BOD as parameter and microorganisms as inoculum in 28 days. Since percent biodegradability is very low it is concluded that this test chemical is not readily biodegradable.
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
Additional information
Predicted data for the target compound 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS No: 25251-42-7) and supporting weight of evidence studies for its read across substance were reviewed for the biodegradation end point which are summarized as below:
Biodegradability of test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS No: 25251-42-7) is predicted using OECD QSAR tool box v.3.3 using log Kow as primary descriptor. The test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid showed 4.48 % biodegradability by considering BOD as parameter and microorganisms as inoculum in 28 days. Since percent biodegradability is very low it is concluded that this test chemical is not readily biodegradable.
Another prediction done by using Estimation Programs Interface Suite (EPI suite, 2017) to estimate the biodegradation potential of the test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS No: 25251-42-7) in the presence of mixed populations of environmental microorganisms. 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-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid is not readily biodegradable.
In a supporting weight of evidence study from Authoritative database (J Check, 2017) of read across chemical 4-hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid (CAS no.119-40-4) biodegradation experiment was carried out by taking sludge as inoculums. Biodegradation was analyzed by using three parameters that are O2 consumption, DOC removal and test material analysis by HPLC. The biodegradation test was conducted for 4 weeks (28 days).The read across chemical 4-hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid showed 0 % degradation by O2 consumption parameter and test material analysis by HPLC parameter and 2 % degradation by DOC removal parameter in 28 days. So it is concluded that read across chemical 4-hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid is not readily biodegradable.
In another supporting weight of evidence study from same source as mentioned above ( J Check, 2017) of read across chemical 6-Amino-4-hydroxy-2-naphthalenesulfonic Acid (CAS no. 90-51-7) biodegradation experiment was carried out by taking sludge as inoculums at concentration of 30 mg/L. Biodegradation was analyzed by using three parameters that are O2 consumption (BOD), TOC removal and test material analysis by UV vis . The biodegradation test was conducted for 2 weeks (14 days). The initial concentration of read across chemical used was 100 mg/L and test equipments used were of standard type. The test chemical 6-Amino-4-hydroxy-2-naphthalenesulfonic Acid showed 5.3 % degradation by O2 consumption (BOD) parameter, 0.4 % degradation by TOC removal parameter and less than 0.0% degradation by test material analysis by UV vis parameter in 14 days.So it is concluded that read across chemical 6-Amino-4-hydroxy-2-naphthalenesulfonic Acid is not readily biodegradable.
On the basis of above results for target chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS No: 25251-42-7)from (EPI suite 2017 and OECD QSAR tool box v3.3 2017) and for its read across substances (from authoritative database) the target chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid expected to be not readily biodegradable.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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