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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 248-324-3 | CAS number: 27206-35-5
- 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
Repeated dose toxicity: oral
Administrative data
- Endpoint:
- repeated dose toxicity: oral
- Remarks:
- other: subacute and subchronic
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The OECD QSAR Toolbox, is a harmonized system for QSAR application and grouping chemicals into categories, for which OECD principles are met.
Data source
Reference
- Reference Type:
- other: prediction by the OECD QSAR Toolbox
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: OECD TG 407; OECD TG 422
- Deviations:
- not applicable
- Principles of method if other than guideline:
- The prediction is based on the experimental data implemented into the OECD QSAR Toolbox. The chemicals assigned into the category were tested in different long-term toxicity studies.
- GLP compliance:
- not specified
Test material
- Reference substance name:
- chemicals assigned into category (The OECD QSAR Toolbox)
- IUPAC Name:
- chemicals assigned into category (The OECD QSAR Toolbox)
- Details on test material:
- As Test materials, the chemicals assigned into the category were used.
SMILES ofthe target substance:C(S)CCS(=O)(=O)O{-}.[Na]{+}
Constituent 1
Test animals
- Species:
- other: Rat; Mus musculus; mouse
- Strain:
- other: SD; albino (Norway, New Zealand strain); F344; Sprague-Dawley; albino (Hebrew University strain); Wistar; B6C3F1;F344/N
- Sex:
- male/female
Administration / exposure
- Route of administration:
- oral: gavage
Results and discussion
Effect levels
- Dose descriptor:
- other: NOEL, LOEL, study LOEL, effect LOEL, study NOEL, NOEL calculated
- Effect level:
- 79.9 mg/kg bw/day (nominal)
- Basis for effect level:
- other: taking the average from the nearest 7 neighbours, based on 7 values from 7 neighbour chemicals.
Target system / organ toxicity
- Critical effects observed:
- not specified
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: NOEL,LOEL,"study LOEL","effect LOEL","study NOEL","NOEL calculated"
Estimation method: Takes average value from the 7 nearest neighbours
Domain logical expression:Result: Out of Domain
("a" and ("b" and "c" and "d" and "e" and "f" and "g" ) )
Domain logical expression index: "a"
Referential boundary: The target chemical should be classified as Thiols (Acute toxicity) by US-EPA New Chemical Categories
Domain logical expression index: "b"
Parametric boundary:The target chemical should have a value of log Kow which is >= -1.02
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is <= 2.44
Domain logical expression index: "d"
Parametric boundary:The target chemical should have a value of Molecular weight which is >= 76 Da
Domain logical expression index: "e"
Parametric boundary:The target chemical should have a value of Molecular weight which is <= 182 Da
Domain logical expression index: "f"
Parametric boundary:The target chemical should have a value of Water Solubility which is >= -465 mg/L
Domain logical expression index: "g"
Parametric boundary:The target chemical should have a value of Water Solubility which is <= 9.8E005 mg/L
Applicant's summary and conclusion
- Conclusions:
- NOAEL of 79.9 mg/kg bw was predicted for the sodium 3-mercaptopropanesulfonic acid.
- Executive summary:
Structurally similar substances to 3-mercaptopropanesulfonic acid, sodium salt (CAS 17636 -10 -1) with data on repeated dose toxicity have been searched with the help of the OECD QSAR Toolbox (v.3.0). The prediction was based on the experimental values of chemicals assigned into the category.The target chemical was profiled as "Thiols "Acute toxicity" by the "US EPA New Chemical Categories". Thiols in general are known to conjugate with proteins via protein thiol-disulfide interchange mechanism. They are also capable to bind covalently proteins via a SN2 reaction at a sulphur atom leading to disulfide bridges. These mechanisms of action are relevant for the investigated endpoint. Therefore, primarily a search for chemicals with the same profiling result was performed. The created category comprised of chemicals which data belong to different units (mg/kg/day, mg/kg bw/day, mg/kg nominal etc.). Hence, the current prediction has been run with chemicals with the most data points (...).
The nearest read-across chemicals contain thiol functional groups but no sulfonic groups in their structure. Sulfonic group, however, is not associated with high reactivity as it thiol group does i.e. generation of reactive oxygen species in cells, cysteine peptide depletion or interaction with DNA leading to mutations. Therefore, the category members with thiol groups representing worst case were considered to be suitable for read-across. The chemicals containing other chemical elements in their structure and/or other organic functional groups have not been removed from the domain since they were similar with the target chemical regarding their mechanistic and endpoint specific profiling.
The NOAEL (combined rat and mouse) of read-across chemicals ranged from 28.7 to 504 mg/kg bw. The predicted NOAEL for the target chemical is 79.9 mg/kg bw.
MPS is suitable as a read-across substance for SPS, as data derived from their structural analogues Dimesna and Mesna, which differ only in one –CH2- group, show that these substances are turning into each other in biological systems, which is in detail outlined in the read-across justification.
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.