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EC number: 204-320-3 | CAS number: 119-40-4
- 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
Endpoint summary
Administrative data
Description of key information
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- 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:
- other: Prediction is done using QSAR Toolbox version 3.4
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.4
- GLP compliance:
- no
- Type of study:
- other: estimated data
- Justification for non-LLNA method:
- Not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): 4-Hydroxy-7-(phenylamino) naphthalene-2-sulfonic acid- Molecular formula: C16H13NO4S- Molecular weight: 315.3477 g/mol- Smiles: c1ccc(cc1)Nc2ccc3c(c2)cc(cc3O)S(=O)(=O)O- InChl): 1S/C16H13NO4S/c18-16-10-14(22(19,20)21)9-11-8-13(6-7-15(11)16)17-12-4-2-1-3-5-12/h1-10,17-18H,(H,19,20,21)- Substance type: organic - Physical state: solid
- Species:
- guinea pig
- Strain:
- Dunkin-Hartley
- Sex:
- female
- Route:
- epicutaneous, occlusive
- Vehicle:
- paraffin oil
- Concentration / amount:
- not specified
- Day(s)/duration:
- not specified
- Adequacy of induction:
- not specified
- No. of animals per dose:
- not specified
- Details on study design:
- not specified
- Challenge controls:
- not specified
- Positive control substance(s):
- not specified
- Positive control substance(s):
- not specified
- Statistics:
- not specified
- Reading:
- 1st reading
- Group:
- negative control
- No. with + reactions:
- 0
- Total no. in group:
- 20
- Remarks on result:
- no indication of skin sensitisation
- Interpretation of results:
- other: not sensitising
- Conclusions:
- The substance 4-Hydroxy-7-(phenylamino) naphthalene-2-sulfonic acid is estimated to be not sensitizing to skin of guinea pigs.
- Executive summary:
The skin sensitization potential for 4-Hydroxy-7-(phenylamino) naphthalene-2-sulfonic acid is estimated using OECD QSAR toolbox version 3.4.The test substance 4-Hydroxy-7-(phenylamino) naphthalene-2-sulfonic acid is estimated to be not sensitizing to skin of guinea pigs.
Reference
The prediction was based on dataset comprised from the following descriptors: "S M W N"
Estimation method: Takes highest mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((((("a" or "b" or("c" or "d") ) and("e" and(not "f")) ) and("g" and(not "h")) ) and("i" and(not "j")) ) and("k" and(not "l")) ) and "m") and("n" and "o") )
Domain logical expression index: "a"
Referential boundary:The target chemical should be classified as 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 Strong binder, OH group by Estrogen Receptor Binding
Domain logical expression index: "d"
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: "e"
Referential boundary:The target chemical should be classified as No alert found by DNA binding by OASIS v.1.4
Domain logical expression index: "f"
Referential boundary:The target chemical should be classified as AN2 OR AN2 >> Michael-type addition, quinoid structures OR AN2 >> Michael-type addition, quinoid structures >> Quinones and Trihydroxybenzenes OR Non-covalent interaction OR Non-covalent interaction >> DNA intercalation OR Non-covalent interaction >> DNA intercalation >> DNA Intercalators with Carboxamide and Aminoalkylamine Side Chain OR Non-covalent interaction >> DNA intercalation >> Quinones and Trihydroxybenzenes OR Radical OR Radical >> Radical mechanism by ROS formation (indirect) or direct radical attack on DNA OR Radical >> Radical mechanism by ROS formation (indirect) or direct radical attack on DNA >> Organic Peroxy Compounds OR Radical >> Radical mechanism via ROS formation (indirect) OR Radical >> Radical mechanism via ROS formation (indirect) >> Quinones and Trihydroxybenzenes by DNA binding by OASIS v.1.4
Domain logical expression index: "g"
Referential boundary:The target chemical should be classified as Not possible to classify according to these rules by DPRA Cysteine peptide depletion
Domain logical expression index: "h"
Referential boundary:The target chemical should be classified as High reactive OR High reactive >> alpha,beta-carbonyl compounds with polarized multiple bonds by DPRA Cysteine peptide depletion
Domain logical expression index: "i"
Referential boundary:The target chemical should be classified as Strong binder, OH group by Estrogen Receptor Binding
Domain logical expression index: "j"
Referential boundary:The target chemical should be classified as Non binder, non cyclic structure OR Weak binder, OH group by Estrogen Receptor Binding
Domain logical expression index: "k"
Referential boundary:The target chemical should be classified as No alert found by Protein binding by OECD
Domain logical expression index: "l"
Referential boundary:The target chemical should be classified as Acylation OR Acylation >> Direct Acylation Involving a Leaving group OR Acylation >> Direct Acylation Involving a Leaving group >> Acetates OR Schiff Base Formers OR Schiff Base Formers >> Direct Acting Schiff Base Formers OR Schiff Base Formers >> Direct Acting Schiff Base Formers >> Mono-carbonyls OR SN2 OR SN2 >> SN2 reaction at sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon atom >> Allyl acetates and related chemicals by Protein binding by OECD
Domain logical expression index: "m"
Referential boundary:The target chemical should be classified as Bioavailable by Lipinski Rule Oasis ONLY
Domain logical expression index: "n"
Parametric boundary:The target chemical should have a value of log Kow which is >= 0.556
Domain logical expression index: "o"
Parametric boundary:The target chemical should have a value of log Kow which is <= 4.84
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Skin sensitization
Skin sensitization behaviour of test compound 4-Hydroxy-7-(phenylamino) naphthalene-2-sulfonic acid (CAS No: 119-40-4) have been summarized by using data from prediction model based estimation and its read across substances.
OECD QSAR toolbox version 3.4 estimated the skin sensitization potential of 4-Hydroxy-7-(phenylamino) naphthalene-2-sulfonic acid (CAS No: 119-40-4) according to guinea pig maximization test in guinea pigs. Since the guinea pigs failed to produce skin sensitisation effects, the test chemical4-Hydroxy-7-(phenylamino) naphthalene-2-sulfonic acid(CAS No: 119-40-4) is considered as non-skin sensitizer.
Skin sensitization study was conducted by Scientific Committee on Consumer Products (SCCP) 2009, for similar read across substance Triclosan (CAS No: 3380-34-5) to assess its sensitization efficacy by using the Guinea pig Buehler test in Hartley (albino) Guinea pigs. In this test, 1% triclosan in a cream/gel was applied dermally (occluded) on back of guinea pigs for both induction and challenge treatment. 5 test and 6 control animals were used. Test sample was applied for 5 hours exposure period during induction. 14 to 21 days after induction, challenge was performed and skin reactions were observed 24 and 48 hours after the challenge. Slight irritation was observed during the induction period on the test site. The study investigators concluded that no sensitisation was observed, as previously untreated sites did not show any significant oedema or redness following the challenge dose. Therefore based upon the observations, it is concluded that the chemical Triclosan (CAS No: 3380-34-5) is not sensitizing to guinea pigs.
Scientific Committee on Consumer Products (SCCP) 2014 observed skin sensitization effects for another read across substance C.I. Acid Orange 7 (CAS No: 633-96-5) in guinea pigs according to OECD 406 by using Magnusson & Kligman Maximisation test.Before performing the main test, a pre-test was performed in order to assure an optimum technical application procedure. The main tests consist of induction and challenge treatment. During induction, intradermal induction of sensitisation (day 1) in the test group was performed with Freund´s Complete Adjuvant (FCA) and physiological saline (1:1), test item at 25% in liquid paraffin, 25% dilution of the test item in FCA plus liquid paraffin; ratio 1:1. One week later, the epidermal induction of sensitisation was conducted under occlusion with the test item at 50% in paraffin for 48 hours. 2 weeks later, induction was followed by challenge treatment. The challenge was performed by application of the test item at 10% and 5% in liquid paraffin under occlusive patch for 24 hours at a different part of the skin. Cutaneous reactions were evaluated at 24 and 48 hours after removal of the dressings. The guinea pigs did not elicit any cutaneous reaction. Hence based on the result of this adjuvant test in guinea pigs, the chemical C.I. Acid Orange 7 (CAS No: 633-96-5) was considered as a non-sensitizer.
From the available data estimated by prediction model for target substance as well as available data for read across substance and applying weight of evidence approach, the test chemical compound 4-Hydroxy-7-(phenylamino) naphthalene-2-sulfonic acid(CAS No: 119-40-4) can beclassified as non-skin sensitizer
Migrated from Short description of key information:
OECD QSAR toolbox version 3.4 estimated the skin sensitization potential of 4-Hydroxy-7-(phenylamino) naphthalene-2-sulfonic acid (CAS No: 119-40-4) according to guinea pig maximization test in guinea pigs. Since the guinea pigs failed to produce skin sensitisation effects, the test chemical 4-Hydroxy-7-(phenylamino) naphthalene-2-sulfonic acid (CAS No: 119-40-4) is considered as non-skin sensitizer.
Justification for selection of skin sensitisation endpoint:
OECD QSAR toolbox version 3.4 estimated the skin sensitization potential of 4-Hydroxy-7-(phenylamino) naphthalene-2-sulfonic acid (CAS No: 119-40-4) according to guinea pig maximization test in guinea pigs. Since the guinea pigs failed to produce skin sensitisation effects, the test chemical 4-Hydroxy-7-(phenylamino) naphthalene-2-sulfonic acid (CAS No: 119-40-4) is considered as non-skin sensitizer.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
The skin sensitization potential of test chemical 4-Hydroxy-7-(phenylamino) naphthalene-2-sulfonic acid(CAS No: 119-40-4) and its read across substanceswas observed in various studies. From the results obtained from these studies it is concluded that the chemical 4-Hydroxy-7-(phenylamino) naphthalene-2-sulfonic acid(CAS No: 119-40-4) was unable to cause skin sensitization and hence can be classified as non-skin sensitizer.
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