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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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption, other
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- Data is from Authoritative database.
- Qualifier:
- according to guideline
- Guideline:
- other: Modelling database
- Principles of method if other than guideline:
- Prediction done using ACD/Adsorption Coefficient (v12.1.0.50374).This particular module provides organic carbon adsorption coefficient (Koc) values over the entire pH scale. Calculations are performed for both neutral and ionic species present at a given pH and utilize predicted values for LogP as well as pKa.Koc values characterize the tendency for a compound to accumulate in soil.
- GLP compliance:
- not specified
- Type of method:
- other: estimated
- Media:
- soil
- 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 - Radiolabelling:
- not specified
- Test temperature:
- 25oC
- Analytical monitoring:
- not specified
- Type:
- Koc
- Value:
- 1 dimensionless
- Temp.:
- 25 °C
- Remarks on result:
- other: Log Koc= 0.0 at pH range 0-14
- Transformation products:
- not specified
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The Soil Adsorption Coefficient i.e Koc value of test substance 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 1.0 dimensionless (log Koc= 0.0).
- Executive summary:
The Soil Adsorption Coefficient i.e Koc value of test substance 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS no. 25251-42-7) was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 1.0 dimensionless (log Koc= 0.0). This log Koc value indicates that the test substance 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid has a negligible sorption to soil and therefore have rapid migration potential to groundwater.
Reference
Description of key information
The Soil Adsorption Coefficient i.e Koc value of test substance4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid( CAS no. 25251-42-7) was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 1.0 dimensionless (log Koc= 0.0). This log Koc value indicates that the test substance 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid has a negligible sorption to soil and therefore have rapid migration potential to groundwater.
Key value for chemical safety assessment
- Koc at 20 °C:
- 1
Additional information
Various predicted data for the target compound 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS no. 25251-42-7) were reviewed for the Adsorption end point which are summarized as below.
The Soil Adsorption Coefficient i.e Koc value of test substance 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS no. 25251-42-7) was estimated using Adsorption Coefficient module (v12.1.0.50374) program of ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017 as Koc 1.0 dimensionless (log Koc= 0.0).
In a prediction done by using Sci Finder database of ACS (American Chemical Society, 2017) to estimate soil adsorption co-efficient i.e., Koc value of test chemical 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS no.25251-42-7) was estimated to be 1.0 dimensionless ( log Koc = 0.0) at pH 1-10 at temperature 25 deg.C.
Another prediction done by using Chemspider-ACD/Phy chem suite of Royal Society of Chemistry, 2017 the soil adsorption co-efficient i.e., Koc value of test substance4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS no 25251-42-7) was estimated to be 1.0 dimensionless (log Koc= 0.0) at pH 5.5 and 7.4 and temperature 25 deg. C.
Last prediction done from CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical) the adsorption coefficient i.e KOC for test substance 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS no.25251-42-7) was estimated to be 96.6 L/kg (log Koc = 1.98) it is based on the 5 OECD principles.
On the basis of above results for target chemical substance 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid (CAS no. 25251-42-7) (from ACD labs, Sci Finder database, Chemspider and Comptox Chemistry dashboard 2017) it can be concluded that the Koc value of test substance 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid ranges from 1 to 96.6 dimensionless (log Koc range =0.0 – 1.9) Thus by considering log Koc value range it is concluded that the test substance 4-hydroxy-6-[(3-sulfophenyl)amino]naphthalene-2-sulfonic acid has a negligible to low sorption to soil and sediment and therefore have rapid to moderate migration potential to ground water.
[LogKoc: 0.0]
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