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EC number: 204-627-2 | CAS number: 123-43-3
- 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
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- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
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- Nanomaterial specific surface area
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- Nanomaterial pour density
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- 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
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- 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
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- Additional toxicological data

Endpoint summary
Administrative data
Description of key information
The skin sensitization potential of Sulfoacetic acid (123-43-3) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the five closest read across substances Sulfoacetic acid (123-43-3) was predicted to be not sensitizing to the skin of female Dunkin-Hartley guinea pig .
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 v3.3 and the QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 406 (Skin Sensitisation)
- Principles of method if other than guideline:
- Prediction was done using OECD QSAR toolbox v3.3, 2017
- GLP compliance:
- not specified
- Type of study:
- not specified
- Specific details on test material used for the study:
- Name of test material :Sulfoacetic acid
- Molecular formula: C2H4O5S
- Molecular weight : 140.115g/mole
- Substance type:organic
- Physical state:solid
- SMILES:OC(=O)CS(O)(=O)=O - Species:
- guinea pig
- Strain:
- Dunkin-Hartley
- Sex:
- female
- Details on test animals and environmental conditions:
- No data available
- No. of animals per dose:
- 20
- Details on study design:
- No data available
- Challenge controls:
- No data available
- Positive control substance(s):
- not specified
- Statistics:
- No data available
- Positive control results:
- No data available
- Reading:
- 1st reading
- Hours after challenge:
- 24
- Group:
- test chemical
- Dose level:
- unchanged (20% aqueous solution)
- No. with + reactions:
- 0
- Total no. in group:
- 20
- Remarks on result:
- other: not sensitising
- Interpretation of results:
- other: Negative
- Conclusions:
- The skin sensitization potential of Sulfoacetic acid (123-43-3) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the five closest read across substances Sulfoacetic acid (123-43-3) was predicted to be not sensitizing to the skin of female Dunkin-Hartley guinea pig .
- Executive summary:
The skin sensitization potential of Sulfoacetic acid (123-43-3) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the five closest read across substances Sulfoacetic acid (123-43-3) was predicted to be not sensitizing to the skin of female Dunkin-Hartley guinea pig .
Reference
The
prediction was based on dataset comprised from the following
descriptors: "Skin Sensitisation"
Estimation method: Takes highest mode value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((((((("a"
or "b" or "c" or "d" or "e" or "f" )
and ("g"
and (
not "h")
)
)
and ("i"
and (
not "j")
)
)
and ("k"
and (
not "l")
)
)
and ("m"
and (
not "n")
)
)
and ("o"
and (
not "p")
)
)
and ("q"
and (
not "r")
)
)
and ("s"
and (
not "t")
)
)
and ("u"
and "v" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Anionic Surfactants by US-EPA
New Chemical Categories
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Carboxylic acid AND Sulfonic
acid by Organic Functional groups
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Carboxylic acid OR Sulfonic acid
by Organic Functional groups ONLY
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Carboxylic acid AND Overlapping
groups AND Sulfonic acid by Organic Functional groups (nested)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Acid, aliphatic attach [-COOH]
OR Alcohol, olefinic attach [-OH] OR Aliphatic Carbon [CH] OR Aliphatic
Carbon [-CH2-] OR Carbonyl, aliphatic attach [-C(=O)-] OR Hydroxy,
sulfur attach [-OH] OR Miscellaneous sulfide (=S) or oxide (=O) OR
Olefinic carbon [=CH- or =C<] OR Suflur {v+4} or {v+6} OR Sulfinic acid
[-S(=O)OH] OR Sulphonate, aliphatic attach [-SO2-O] by Organic
functional groups (US EPA) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Carbonic acid derivative OR
Carboxylic acid OR Carboxylic acid derivative OR Sulfonic acid OR
Sulfonic acid derivative by Organic functional groups, Norbert Haider
(checkmol) ONLY
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as AN2 OR AN2 >> Shiff base
formation after aldehyde release OR AN2 >> Shiff base formation after
aldehyde release >> Specific Acetate Esters OR Radical OR Radical >>
Generation of reactive oxygen species OR Radical >> Generation of
reactive oxygen species >> Thiols 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 SN1 OR SN1 >> Nucleophilic attack
after carbenium ion formation OR SN1 >> Nucleophilic attack after
carbenium ion formation >> Specific Acetate Esters OR SN2 OR SN2 >>
Acylation OR SN2 >> Acylation >> Specific Acetate Esters OR SN2 >>
Alkylation, direct acting epoxides and related OR SN2 >> Alkylation,
direct acting epoxides and related >> Epoxides and Aziridines OR SN2 >>
Alkylation, nucleophilic substitution at sp3-carbon atom OR SN2 >>
Alkylation, nucleophilic substitution at sp3-carbon atom >> Sulfonates
and Sulfates OR SN2 >> DNA alkylation OR SN2 >> DNA alkylation >>
Alkylphosphates, Alkylthiophosphates and Alkylphosphonates OR SN2 >>
Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic
substitution at sp3 Carbon atom >> Specific Acetate Esters OR SN2 >>
Ring opening SN2 reaction OR SN2 >> Ring opening SN2 reaction >>
Sultones by DNA binding by OASIS v.1.3
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> P450
Mediated Activation to Isocyanates or Isothiocyanates OR Acylation >>
P450 Mediated Activation to Isocyanates or Isothiocyanates >> Formamides
OR Michael addition OR Michael addition >> Polarised Alkenes-Michael
addition OR Michael addition >> Polarised Alkenes-Michael addition >>
Alpha, beta- unsaturated amides OR Michael addition >> Polarised
Alkenes-Michael addition >> Alpha, beta- unsaturated esters 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 by DNA binding by OECD
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Non binder, non cyclic structure
by Estrogen Receptor Binding
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Non binder, impaired OH or NH2
group OR Non binder, MW>500 OR Non binder, without OH or NH2 group by
Estrogen Receptor Binding
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as No alert found by Protein
binding by OECD
Domain
logical expression index: "n"
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 by Protein binding by OECD
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg by Eye irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group CN Lipid
Solubility < 0.4 g/kg OR Exclusion rules not met OR Group All Aqueous
Solubility < 0.000005 g/L OR Group All Aqueous Solubility < 0.00002 g/L
OR Group All log Kow < -3.1 OR Group All log Kow > 9 OR Group All
Melting Point > 200 C OR Group C Aqueous Solubility < 0.0001 g/L OR
Group C Aqueous Solubility < 0.0005 g/L OR Group C Melting Point > 55 C
OR Group CNS Melting Point > 50 C by Eye irritation/corrosion Exclusion
rules by BfR
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Inclusion rules not met by Skin
irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Aliphatic acids and (Met)acrylic
acids by Skin irritation/corrosion Inclusion rules by BfR
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg by Skin irritation/corrosion Exclusion rules by
BfR
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group C Surface
Tension > 62 mN/m by Skin irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "u"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -2.52
Domain
logical expression index: "v"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 1.5
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Skin sensitization
In different studies, Sulfoacetic acid (123-43-3) has been investigated for potential of skin sensitization to a greater or lesser extent. The studies are based on in vivo experiments in guinea pig for target chemical Sulfoacetic acid (123-43-3) and its structurally similar read across substancesMethanesulfonic acid (75-75-2) the predicted data using the OECD QSAR toolbox has also been compared with the experimental data of read across.
The skin sensitization potential of Sulfoacetic acid (123-43-3) was estimated by SSS (2017) using OECD QSAR toolbox v3.3 with log kow as the primary descriptor and considering the five closest read across substances Sulfoacetic acid (123-43-3) was predicted to be not sensitizing to the skin of female Dunkin-Hartley guinea pig.
Also it is further supported by experimental study conducted by US EPA (High Production Volume Information System (HPVIS), 2016) to evaluate the skin sensitizing potential of read across substance Methanesulfonic acid (75-75-2) in guinea pig. The skin sensitizing study of Methanesulfonic acid (75-75-2) was carried out in Hartley guinea pig in group of 20 by Buehler test method. Vehicle control group 5 animals /sex also observed .Pilot study done before start of experiment. Test material dissolved in water .Topical induction was by application of test substance 0.3 ml of 50 % occlusive epicutaneous for 6 hours on left shoulder for 3 times in 14 days on 1stday, 7thdays and on 14thdays, an interval of 14 days animals challenged by 0.3 ml of 25 % occlusive epicutaneouspatch for 24 hours. Cutaneous reactions were evaluated at 24 hours. After challenge no skin reactions were observed. Therefore, based on the results obtained, the Methanesulfonic acid was considered to be non-sensitizing to skin of guinea pig.
Thus based on the above predictions onSulfoacetic acid (123-43-3) as well as its read across and applying weight of evidence, it can be concluded that Sulfoacetic acid (123-43-3) is not a skin sensitizer. Thus comparing the above annotations with the criteria of CLP regulation, Sulfoacetic acid (123-43-3) can be considered as not classified for skin sensitization.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Thus comparing the above annotations with the criteria of CLP regulation, Sulfoacetic acid (123-43-3) can be considered as not classified for skin sensitization.
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