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EC number: 200-625-0 | CAS number: 66-27-3
- 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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- 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: as mentioned below
- Principles of method if other than guideline:
- Prediction is done using QSAR Toolbox version 3.3 with log kow as the primary discriptors.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - IUPAC name: Methyl methanesulfonate
- Molecular formula: C2 H6 O3 S
- Molecular weight: 110.1324 g/mol
- Smiles: COS(=O)(=O)C
- InChI: 1S/C2H6O3S/c1-5-6(2,3)4/h1-2H3
- Substance type: Organic
- Physical state: liquid - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Daphnia magna
- Details on test organisms:
- - Common name: Water flea
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Hardness:
- No data available
- Test temperature:
- No data available
- pH:
- No data available
- Dissolved oxygen:
- No data available
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 128.11 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Intoxication
- Remarks on result:
- other: Other details not known
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The short term toxicity on aquatic invertebrates was predicted for methyl methanesulfonate(CAS:66-27-3). EC50 value was estimated to be 128.11 mg/l for Daphnia magna for 48 hrs duration. Based on the value,methyl methanesulfonate(CAS: 66-27-3) was considered to be non-toxic to aquatic invertebrates and can be considered to be not classified as per the CLP regulations.
- Executive summary:
Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for methyl methanesulfonate(CAS:66-27-3). EC50 value was estimated to be 128.11 mg/l for Daphnia magna for 48 hrs duration. Based on the value, methyl methanesulfonate(CAS: 66-27-3) was considered to be non-toxic to aquatic invertebrates and can be considered to be not classified as per the CLP regulations.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
((((((((((("a"
or "b" or "c" or "d" )
and "e" )
and "f" )
and "g" )
and ("h"
and (
not "i")
)
)
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and ("n"
and (
not "o")
)
)
and "p" )
and ("q"
and (
not "r")
)
)
and ("s"
and "t" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as SN2 OR SN2 >> Nucleophilic
substitution at sp3 carbon atom OR SN2 >> Nucleophilic substitution at
sp3 carbon atom >> Sulfonates by Protein binding by OASIS v1.3
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as SN2 OR SN2 >> SN2 reaction at
sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon atom >> Sulfonates
by Protein binding by OECD
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as SN2 OR SN2 >> Alkylation,
nucleophilic substitution at sp3-carbon atom OR SN2 >> Alkylation,
nucleophilic substitution at sp3-carbon atom >> Sulfonates and Sulfates
by DNA binding by OASIS v.1.3
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as SN2 OR SN2 >> SN2 at an sp3
Carbon atom OR SN2 >> SN2 at an sp3 Carbon atom >> Sulfonates by DNA
binding by OECD
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Not calculated by Hydrolysis
half-life (Ka, pH 7)(Hydrowin) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "g"
Similarity
boundary:Target:
COS(C)(=O)=O
Threshold=50%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "h"
Referential
boundary: The
target chemical should be classified as Not categorized by Repeated dose
(HESS)
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as 3-Methylcholantrene
(Hepatotoxicity) Alert OR Aliphatic nitriles (Hepatotoxicity) Rank B OR
Allyl esters (Hepatotoxicity) Rank A OR Anilines (Hemolytic anemia with
methemoglobinemia) Rank A OR Anilines (Hepatotoxicity) Rank C OR
Aromatic hydrocarbons (Liver enzyme induction) Rank C OR
Chlorphentermine (Hepatotoxicity) Alert OR Halogenated aliphatic
compounds (Hepatotoxicity) Rank A OR Nitrobenzenes (Hemolytic anemia
with methemoglobinemia) Rank A OR Nitrobenzenes (Hepatotoxicity) Rank C
OR Organophosphates (Neurotoxicity) Rank A OR Oxyphenistain
(Hepatotoxicity) Alert OR Thioalcohols (Hepatotoxicity) No rank OR
Thiocarbamates/Sulfides (Hepatotoxicity) No rank by Repeated dose (HESS)
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as No alert found by rtER Expert
System ver.1 - USEPA
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Phthalates OR Thiophosphate
Esters by rtER Expert System ver.1 - USEPA
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as No alert found by Respiratory
sensitisation
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Acylation OR Acylation >> Direct
acylation at a carbonyl with a leaving group OR Acylation >> Direct
acylation at a carbonyl with a leaving group >> Phenyl acetates OR
Pro-Schiff base formation OR Pro-Schiff base formation >> Pro-cross
linking Schiff base OR Pro-Schiff base formation >> Pro-cross linking
Schiff base >> Ethanolamines OR SN2 OR SN2 >> SN2 at sulphur OR SN2 >>
SN2 at sulphur >> Benzisothiazolin-3-ones OR SN2 >> SN2 at sulphur >>
N-Alkylthiosuccinamides by Respiratory sensitisation
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules by Keratinocyte gene expression
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as High gene expression OR High
gene expression >> Activated esters OR High gene expression >>
N-Acylamides OR Very high gene expression OR Very high gene expression
>> Isothiazolone derivatives by Keratinocyte gene expression
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Reactive unspecified by Acute
aquatic toxicity MOA by OASIS ONLY
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Not possible to classify
according to these rules (GSH) by Protein binding potency
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Extremely reactive (GSH) OR
Extremely reactive (GSH) >> Beta-Nitrovinylenes (aromatic) (MA) OR
Highly reactive (GSH) OR Highly reactive (GSH) >> 3-Alken-2-ones (MA) OR
Highly reactive (GSH) >> Miscellaneous Alkyl 2-halo alkenoates (SN2) OR
Highly reactive (GSH) >> Miscellaneous alpha-halogenated ketones (SN2)
OR Moderately reactive (GSH) OR Moderately reactive (GSH) >>
2-Chloroacetamides (SN2) OR Moderately reactive (GSH) >> 2-Vinyl
carboxamides (MA) OR Moderately reactive (GSH) >> Alkyl chloroacetates
(SN2) OR Moderately reactive (GSH) >> Substituted 1-Alken-3-ones (MA) OR
Slightly reactive (GSH) OR Slightly reactive (GSH) >> 2-Alkenyl
carbonitriles (MA) OR Slightly reactive (GSH) >> Substituted
haloacetamides (SN2) by Protein binding potency
Domain
logical expression index: "s"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -1.21
Domain
logical expression index: "t"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.962
Description of key information
Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for methyl methanesulfonate(CAS:66-27-3). EC50 value was estimated to be 128.11 mg/l for Daphnia magna for 48 hrs duration. Based on the value,methyl methanesulfonate(CAS: 66-27-3) was considered to be non-toxic to aquatic invertebrates and can be considered to be not classified as per the CLP regulations.
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 128.11 mg/L
Additional information
Based on the predicted data for the target chemical and experimental for read across chemicals study have been reviewed to determine the toxic nature of target chemical methyl methanesulfonate (MMS) (66-27-3) on the growth of aquatic invertebrates. The studies are as mentioned below:
In the first weight of evidence study for the target chemical methyl methanesulfonate (MMS) (66-27-3) from OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the five closest read across substances, the short term toxicity on aquatic invertebrates was predicted for methyl methanesulfonate(CAS:66-27-3). EC50 value was estimated to be 128.11 mg/l for Daphnia magna for 48 hrs duration. Based on the value, methyl methanesulfonate (CAS: 66-27-3) was considered to be non-toxic to aquatic invertebrates and can be considered to be not classified as per the CLP regulations.
Similarly in the second predicted study for the chemical methyl methanesulfonate (MMS) (66-27-3) based on the prediction done by EPI suite, ECOSAR version 1.1, on the basis of similarity of structure to chemicals for which the aquatic toxicity has been previously measured by structure-activity relationships (SARs) program, the LC 50 value for short term toxicity to aquatic invertebrates was predicted. On the basis of this programe, the LC 50 value for short term toxicity to aquatic invertebrates was predicted to be 9800.8 mg/l for methyl methanesulfonate (66-27-3) in 48 hrs. Based on this value it can be concluded that the substance methyl methanesulfonate (66 -27 -3) is considered to be not toxic to aquatic environment and cannot be classified as per the criteria mentioned in CLP regulation.
Further predicted study was supported by the experimental study for the functionally similar read across chemical (121-57-3) used from the peer reviewed journal (Chemosphere, 1994). Toxicological profile of sulphanilic acid were study on the daphnia magna for 24 hrs. From the study the EC50 value for short term toxicity to aquatic invertebrates for Sulfanilic acid in 24 hrs was determined to be 109.13 mg/l. Based on the result, Sulfanilic acid (121-57-3) was considered as not toxic and not classified as per the CLP regulations.
Similarly study for the same read across chemical (121-57-3) from IUCLID dataset supports the nontoxic behavior of chemical. The short term toxicity study of sulphanilic acid to aquatic invertebrates was performed on Daphnia magna. Test was performed by static system. After the 24 hrs of exposure with chemical, the EC50 and EC100 value for Daphnia magna for Sulphanilic Acid (121-57-3) was determined to be 109.13 and 250 mg/l. Based on the value the sulphanilic Acid was considered to be non-toxic to aquatic invertebrate and can be considered to be not classified as per CLP regulations.
In the fifth weight of evidence study for another read across chemical 2,3-dibromopropan-1-ol (96-13-9) from ECOTOX database toxicity of chemical was studied. Short term toxicity to aquatic invertebrates was performed in 5 daphnia magna for 48 hrs at 289-395 range concentration. Age of 6-24 h old daphnia were used for experiment. The test was performed in 20 degree C and at pH of≥7. After the experiment, the EC 50 value for short term toxicity to aquatic invertebrates for 2,3-dibromopropan-1-ol (96-13-9) was determined to be 338 mg/l. Based on the value the chemical was considered to be non-toxic to aquatic invertebrates and can be considered to be not classified as per CLP regulations.
Thus based on the data obtain from various sources including predicted data for the target chemical (from OECD QSAR toolbox, EPIsuite) and for the read across chemical (from Chemosphere, 1994, IUCLID dataset and ECOTOX database, it can be concluded that the methyl methanesulfonate (MMS) (66-27-3) was nontoxic and not classified as per the CLP classification criteria.
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