Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 229-291-4 | CAS number: 6470-17-3
- 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
The skin sensitization potential of target chemical 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) was assessed in various experimental studies which were conducted on guinea pigs and humans for target chemical 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) and its structurally similar read across substance Vanillin (CAS No: 121-33-5) and functionally similar read across substance2-Methoxybenzyl alcohol (CAS no: 612-16-8). The predicted data using QSAR toolboxhas also been compared with the experimental data.Based on the available data for the target and read across substances and applying the weight of evidence approach, it can be concluded that chemical 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) is unable to cause skin sensitization and thus can be considered as not sensitizing. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
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:
- Data is from OECD QSAR toolbox version 3.4 and QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.4
- GLP compliance:
- not specified
- Type of study:
- guinea pig maximisation test
- Justification for non-LLNA method:
- not specified
- Specific details on test material used for the study:
- - Name of test material : 5-amino-2-methoxybenzene-1-sulfonic acid
- Common name : 5-Amino-2-methoxybenzenesulphonic acid
- Molecular formula : C7H9NO4S
- Molecular weight : 203.217 g/mol
- Smiles notation : O=S(=O)(O)c1c(OC)ccc(N)c1
- InChl : 1S/C7H9NO4S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
- Substance type : Organic
- Physical state : Solid - Species:
- guinea pig
- Strain:
- Dunkin-Hartley
- Sex:
- male/female
- Details on test animals and environmental conditions:
- No data available
- Route:
- intradermal and epicutaneous
- Vehicle:
- not specified
- Concentration / amount:
- No data available
- Day(s)/duration:
- No data available
- Adequacy of induction:
- not specified
- No.:
- #1
- Route:
- epicutaneous, occlusive
- Vehicle:
- not specified
- Concentration / amount:
- No data available
- Day(s)/duration:
- 72 hours
- Adequacy of challenge:
- not specified
- No. of animals per dose:
- 20
- Reading:
- 1st reading
- Hours after challenge:
- 72
- Group:
- test chemical
- Dose level:
- No data available
- No. with + reactions:
- 0
- Total no. in group:
- 20
- Clinical observations:
- No skin sensitization was observed.
- Remarks on result:
- no indication of skin sensitisation
- Cellular proliferation data / Observations:
- No skin sensitization was observed.
- Interpretation of results:
- other: not sensitizing
- Conclusions:
- The chemical 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) failed to induce skin sanitization effects and hence is considered to be not sensitizing to Dunkin-Hartley guinea pigs.
- Executive summary:
The skin sensitization potential of 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) was estimated using OECD QSAR toolbox version 3.4 with log Pow as the primary descriptor. The chemical 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) failed to induce skin sanitization effects and hence is considered to be not sensitizing to Dunkin-Hartley guinea pigs and can be classified under the category ˋ Not Classified’ as per CLP regulation.
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
Estimation method: Takes highest mode value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
(((((((("a"
or "b" or "c" )
and ("d"
and (
not "e")
)
)
and ("f"
and (
not "g")
)
)
and "h" )
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and ("o"
and "p" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anilines (Acute toxicity) by
US-EPA New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Strong binder, NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Acid moiety AND Anilines
(Unhindered) by Aquatic toxicity classification by ECOSAR
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "e"
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 >> Hydroquinones OR SN1 OR SN1 >> Iminium Ion
Formation OR SN1 >> Iminium Ion Formation >> Aliphatic tertiary amines
OR SN1 >> Nitrenium Ion formation OR SN1 >> Nitrenium Ion formation >>
Aromatic azo OR SN1 >> Nitrenium Ion formation >> Aromatic nitro OR SN1
>> Nitrenium Ion formation >> Primary aromatic amine OR SN1 >> Nitrenium
Ion formation >> Secondary aromatic amine OR SN1 >> Nitrenium Ion
formation >> Tertiary aromatic amine by DNA binding by OECD
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OASIS v1.3
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Ester
aminolysis OR Acylation >> Ester aminolysis >> Amides by Protein binding
by OASIS v1.3
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Aniline AND Aryl AND Ether AND
Sulfonic acid by Organic Functional groups
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, primary by
Organic Functional groups
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Alkylarylether AND Amine AND
Aromatic compound AND Ether AND Primary amine AND Primary aromatic amine
AND Sulfonic acid AND Sulfonic acid derivative by Organic functional
groups, Norbert Haider (checkmol)
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Thioether by Organic functional
groups, Norbert Haider (checkmol)
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Benzene/ Naphthalene sulfonic
acids (Less susceptible) Rank C by Repeated dose (HESS)
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Anilines (Hemolytic anemia with
methemoglobinemia) Rank A OR Anilines (Hepatotoxicity) Rank C by
Repeated dose (HESS)
Domain
logical expression index: "o"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -3
Domain
logical expression index: "p"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= -0.508
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Various studieshas been investigated for the test chemical5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3)to observe the potential for skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments in guinea pigs, mouse and humans for target chemical5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) and its structurally similar read across substanceVanillin (CAS No: 121-33-5)andfunctionallysimilar read across substance2-Methoxybenzyl alcohol (CAS no: 612-16-8).The predicted data using the OECD QSAR toolbox has also been compared with the experimental data and summarized as below;
The skin sensitization potential of 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) was estimated using OECD QSAR toolbox version 3.4 with log Pow as the primary descriptor. The chemical 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) was estimated to be not sensitizing to the skin of Dunkin-Hartley guinea pigs. Based on the estimated result 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) failed to induce skin sanitization effects and hence is considered to be not sensitizing to Dunkin-Hartley guinea pigs.
The Gerberick GF et al., {Dermatitis, 2005 Dec; 16(4):157-202} assessed skin sensitizing potential of read across chemical Vanillin (CAS No: 121-33-5) by using the Mouse Local Lymphnode Assay that supports the result of target chemical. The LLNA was conducted on groups of CBA mice (7-12 weeks of age) by mean of topical application of chemical on the dorsum of both ears at a dose of 25µl or to an equal volume of relevant vehicle (Acetic acid in olive oil (4:1))only. Treatment was performed daily for 3 consecutive days. Five days after initiation of exposure all mice were injected via the tail vein with 250µl of PBS containing 20µCi of tritiatied thymidine. The mice were sacrificed 5 hours later, and draining the auricular lymph nodes were excised and pooled for each experimental group or each individual animal. The incorporation of tritiated thymidine measured by β-scintillation counting and was reported in disintegrations /minute. An SI was calculated as the ratio of disintegrations/minute of the treated group to the disintegrations/minute of the concurrent vehicle control group. A substance was classified skin sensitizer , if at one or more than one concentrations, it induced a three-fold or greater increase in local lymph node proliferative activity when treated with the concurrent vehicle treated controls (SI ≥3) .The approach to estimation of the relative skin sensitization potential is based on the mathematical estimation of the concentration of chemical necessary to obtain a threshold positive response (SI = 3); this is termed as the EC3 value. The relative potency index of Vanillin (CAS No: 121-33-5) was not calculated but on the basis of classification system it was considered to be >100. Thus the chemical Vanillin (CAS No: 121-33-5) was considered as non-skin sensitizer.
The above results were further supported by the skin sensitization study of read across chemical2-Methoxybenzyl alcohol (CAS no: 612-16-8)carried out by D. Belsito et al., {Food and Chemical Toxicology, Vol. 50, Pg. no. S52-S99, 2012} via ahuman repeated insult patch test (HRIPT) on 39 volunteers. During the study, each subject was induced with1.2% of2-Methoxybenzyl alcohol inEtOH three times per week for 3 weeks under occlusive condition. After induction, all the treated subjects were challenged at same concentration used in induction and later observed for skin reactions after 24 hours.None of the volunteers showed any signs of skin sensitization. Hence the chemical2-Methoxybenzyl alcohol (CAS no: 612-16-8) was considered to be not sensitizing to the skin of human subjects.
Based on the available data for the target chemical, supporting studies and read across substance,it can be concluded thatchemical 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) is unable to cause skin sensitization and considered as not sensitizing. Comparing the above annotations with the criteria of CLP regulation, it can be classified under the category “Not Classified”.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
The skin sensitization potential of test substance 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) and its structurally similar read across substances its structurally similar read across substanceVanillin (CAS No: 121-33-5)andfunctionallysimilar read across substance2-Methoxybenzyl alcohol (CAS no: 612-16-8)were observed in various studies. From the results obtained from these studies it is concluded that the chemical 5-amino-2-methoxybenzene-1-sulfonic acid (CAS no: 6470-17-3) is not likely to cause skin sensitization and hence can be classified as non-skin sensitizer.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.