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EC number: 274-695-6 | CAS number: 70609-66-4
- 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

Toxicity to microorganisms
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to microorganisms
- 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.3.3 and QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- other: Predicted data
- 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:
- - Name of test material : Sodium 2-[(1-oxododecyl)amino]ethanesulphonate
- Molecular formula: C14H29NO4S.Na
- Molecular weight: 329.4342 g/mol
- Smiles notation : CCCCCCCCCCCC(=O)NCCS(=O)(=O)[O-].[Na+]
- InChl : 1S/C14H29NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-14(16)15-12-13-20(17,18)19;/h2-13H2,1H3,(H,15,16)(H,17,18,19);/q;+1/p-1
- Substance type: Organic
- Physical state: solid - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Tetrahymena pyriformis
- Test type:
- static
- Water media type:
- freshwater
- Limit test:
- no
- Total exposure duration:
- 48 h
- Key result
- Duration:
- 48 h
- Dose descriptor:
- other: IGC50
- Effect conc.:
- 5 813.18 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- other: Growth
- Remarks on result:
- other: no toxic
- Conclusions:
- Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the short term toxicity on micro-organism predicted for sodium 2-[(1-oxododecyl)amino]ethanesulphonate (CAS: 70609-66-4). Effect concentration i.e IGC50 value estimated to be 5813.18 mg/l for Tetrahymena pyriformis for 48 hrs duration. It can be concluded that the sodium 2-[(1-oxododecyl)amino]ethanesulphonate (CAS: 70609-66-4) IS likely to be not toxic to micro-organism, hence it can be considered to be “not classified” as per the CLP classification criteria for aquatic environment.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the short term toxicity on micro-organism predicted for sodium 2-[(1-oxododecyl)amino]ethanesulphonate (CAS: 70609-66-4). Effect concentration i.e IGC50 value estimated to be 5813.18 mg/l for Tetrahymena pyriformis for 48 hrs duration. It can be concluded that the sodium 2-[(1-oxododecyl)amino]ethanesulphonate (CAS: 70609-66-4) IS likely to be not toxic to micro-organism, hence it can be considered to be “not classified” as per the CLP classification criteria for aquatic environment.
Reference
The
prediction was based on dataset comprised from the following
descriptors: IGC50
Estimation method: Takes average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
(((("a"
or "b" )
and ("c"
and (
not "d")
)
)
and "e" )
and ("f"
and "g" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >> Ester
aminolysis AND Acylation >> Ester aminolysis >> Amides by Protein
binding by OASIS v1.3
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Acid moiety OR Amides OR Salt OR
Surfactants-Anionic by Aquatic toxicity classification by ECOSAR ONLY
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OASIS v.1.3
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Non-covalent interaction OR
Non-covalent interaction >> DNA intercalation OR Non-covalent
interaction >> DNA intercalation >> DNA Intercalators with Carboxamide
Side Chain OR Radical OR Radical >> Radical mechanism via ROS formation
(indirect) OR Radical >> Radical mechanism via ROS formation (indirect)
>> Nitroaniline Derivatives OR Radical >> Radical mechanism via ROS
formation (indirect) >> Nitrophenols, Nitrophenyl Ethers and
Nitrobenzoic Acids OR SN1 OR SN1 >> Nucleophilic attack after reduction
and nitrenium ion formation OR SN1 >> Nucleophilic attack after
reduction and nitrenium ion formation >> Nitroaniline Derivatives OR SN1
>> Nucleophilic attack after reduction and nitrenium ion formation >>
Nitrophenols, Nitrophenyl Ethers and Nitrobenzoic Acids by DNA binding
by OASIS v.1.3
Domain
logical expression index: "e"
Similarity
boundary:Target:
CCCCCCCCCCCC(=O)NCCS(=O)(=O)O{-}.[Na]{+}
Threshold=80%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "f"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -0.671
Domain
logical expression index: "g"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 0.271
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the short term toxicity on micro-organism predicted for sodium 2-[(1-oxododecyl)amino]ethanesulphonate (CAS: 70609-66-4). Effect concentration i.e IGC50 value estimated to be 5813.18 mg/l for Tetrahymena pyriformis for 48 hrs duration. It can be concluded that the sodium 2-[(1-oxododecyl)amino]ethanesulphonate (CAS: 70609-66-4) IS likely to be not toxic to micro-organism, hence it can be considered to be “not classified” as per the CLP classification criteria for aquatic environment.
Key value for chemical safety assessment
- EC50 for microorganisms:
- 5 813.18 mg/L
Additional information
Following studies include the predicted data and experimental study for the target chemical and structurally similar read across to conclude the toxicity extent of sodium 2-[(1 oxododecyl)amino]ethanesulphonate (CAS: 70609-66-4) towards micro-organisms is summarized as follows:
Based on the prediction done using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the closest read across substances, the short term toxicity on micro-organism predicted for sodium 2-[(1-oxododecyl)amino]ethanesulphonate (CAS: 70609-66-4). Effect concentration i.e IGC50 value estimated to be 5813.18 mg/l for Tetrahymena pyriformis for 48 hrs duration. It can be concluded that the sodium 2-[(1-oxododecyl)amino]ethanesulphonate (CAS: 70609-66-4) IS likely to be not toxic to micro-organism, hence it can be considered to be “not classified” as per the CLP classification criteria for aquatic environment.
The above predicted data of target chemical is supported by the experimental study of structurally similar read across 2-pyridone (CAS:142-08 -5) from the publication Ecotoxicology and Environmental Safety, 1987, suggests that the Toxicity to microorganisms test was carried out to study the effects of 2-pyridone in aquatic micro-organism. The effective concentration EC50 to 50% of Tetrahymena pyriformis at 60 hr is 3877.2 mg/l. Growth rate effects was measured during the test. It can be concluded that the2-pyridone is not toxic to the aquatic environment.
Furhter it is supported by the experimental study for another structurally similar read across Paracetamol (CAS: 103-90-2) from publication The Science of the Total Environment 1991 indicates, that the Toxicity to micro-organisms test was carried out to study the effects of Paracetamol on micro-organisms. The inhibition growth concentration (IGC50) to 50% of microorganism (Tetrahymena pyriformis) in a 48 hr for Paracetamol is 999 mg/L. It can be concluded from the value that the Paracetamol is not toxic to the aquatic environment.
Thus based on the effect concentrations which is in the range 999 mg/l to5813.18 mg/lgive the conclusion that test substancesodium 2-[(1 oxododecyl)amino]ethanesulphonate (CAS: 70609-66-4)is likely to be non-toxic to micro-organisms at environmentally relevant concentrations and applying weight of evidence approach it can be considered to be “not classified” as per the CLP classification criteria.
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