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EC number: 257-399-1 | CAS number: 51765-51-6
- 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
Biodegradation in water: screening tests
Administrative data
Link to relevant study record(s)
- Endpoint:
- biodegradation in water: screening tests
- 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:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 301 C (Ready Biodegradability: Modified MITI Test (I))
- Principles of method if other than guideline:
- The data is predicted using the OECD QSAR toolbox version 3.3 with logKow as the primary descriptor.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): N-(2-phenoxyphenyl)methanesulfonamide
- Molecular formula (if other than submission substance): C13H13NO3S
- Molecular weight (if other than submission substance): 263.316 g/mol
- Smiles notation (if other than submission substance): S(Nc1c(Oc2ccccc2)cccc1)(=O)(=O)C
- InChI: 1S/C13H13NO3S/c1-18(15,16)14-12-9-5-6-10-13(12)17-11-7-3-2-4-8-11/h2-10,14H,1H3
- Substance type: Organic
- Physical state: Solid - Oxygen conditions:
- aerobic
- Inoculum or test system:
- other: Microorganisms
- Duration of test (contact time):
- 28 d
- Parameter followed for biodegradation estimation:
- other: BOD
- Key result
- Parameter:
- other: BOD
- Value:
- 15.6
- Sampling time:
- 28 d
- Remarks on result:
- other: Other details not known
- Details on results:
- Test substance undergoes 15.6% degradation by BOD in 28 days.
- Validity criteria fulfilled:
- not specified
- Interpretation of results:
- not readily biodegradable
- Conclusions:
- The test chemical N-(2-phenoxyphenyl)methanesulfonamide was estimated to be not readily biodegradable in water.
- Executive summary:
Biodegradability of N-(2-phenoxyphenyl)methanesulfonamide is predicted using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor (2017). Test substance undergoes 15.6% degradation by BOD in 28 days.Thus, based on percentage degradation, the test chemical N-(2 -phenoxyphenyl)methane sulfonamide was estimated to be not readily biodegradable in water.
Reference
The
prediction was based on dataset comprised from the following
descriptors: BOD
Estimation method: Takes average 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 "l" )
and "m" )
and "n" )
and "o" )
and "p" )
and "q" )
and ("r"
and "s" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aryl AND Ether AND Sulfonamide
by Organic Functional groups
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Aryl AND Ether AND Overlapping
groups AND Sulfonamide by Organic Functional groups (nested)
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic
Nitrogen, one aromatic attach [-N] AND Aliphatic Oxygen, two aromatic
attach [-O-] AND Aromatic Carbon [C] AND Miscellaneous sulfide (=S) or
oxide (=O) AND Olefinic carbon [=CH- or =C<] AND Oxygen, two olefinic
attach [-O-] AND Suflur {v+4} or {v+6} AND Sulfamide, aliphatic attach
[-SO2-N] AND Sulfonyl amide, aliphatic attach [-S(=O)N-] AND Sulfur,
nitrogen attach [-S-] by Organic functional groups (US EPA)
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] AND
Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic
Nitrogen, one aromatic attach [-N] AND Aliphatic Oxygen, two aromatic
attach [-O-] AND Aromatic Carbon [C] AND Miscellaneous sulfide (=S) or
oxide (=O) AND Olefinic carbon [=CH- or =C<] AND Oxygen, two olefinic
attach [-O-] AND Suflur {v+4} or {v+6} AND Sulfamide, aliphatic attach
[-SO2-N] AND Sulfonyl amide, aliphatic attach [-S(=O)N-] AND Sulfur,
nitrogen attach [-S-] by Organic functional groups (US EPA)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Aliphatic Carbon [CH] OR
Aliphatic Carbon [-CH2-] OR Aliphatic Carbon [-CH3] OR Aliphatic
Nitrogen, one aromatic attach [-N] OR Aliphatic Oxygen, two aromatic
attach [-O-] OR Aromatic Carbon [C] OR Miscellaneous sulfide (=S) or
oxide (=O) OR Olefinic carbon [=CH- or =C<] OR Oxygen, two olefinic
attach [-O-] OR Suflur {v+4} or {v+6} OR Sulfamide, aliphatic attach
[-SO2-N] OR Sulfonyl amide, aliphatic attach [-S(=O)N-] OR Sulfur,
nitrogen attach [-S-] by Organic functional groups (US EPA) ONLY
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Aromatic compound OR Diarylether
OR Ether 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 >> Michael-type
addition, quinoid structures OR AN2 >> Michael-type addition, quinoid
structures >> Quinones OR AN2 >> Nucleophilic addition to alpha,
beta-unsaturated carbonyl compounds OR AN2 >> Nucleophilic addition to
alpha, beta-unsaturated carbonyl compounds >> alpha, beta-Unsaturated
Aldehydes OR AN2 >> Schiff base formation OR AN2 >> Schiff base
formation >> alpha, beta-Unsaturated Aldehydes OR Non-covalent
interaction OR Non-covalent interaction >> DNA intercalation OR
Non-covalent interaction >> DNA intercalation >> Fused-Ring Primary
Aromatic Amines OR Non-covalent interaction >> DNA intercalation >>
Quinones OR Radical OR Radical >> Radical mechanism via ROS formation
(indirect) OR Radical >> Radical mechanism via ROS formation (indirect)
>> Fused-Ring Primary Aromatic Amines OR Radical >> Radical mechanism
via ROS formation (indirect) >> Hydrazine Derivatives OR Radical >>
Radical mechanism via ROS formation (indirect) >> p-Aminobiphenyl
Analogs OR Radical >> Radical mechanism via ROS formation (indirect) >>
Quinones OR Radical >> Radical mechanism via ROS formation (indirect) >>
Single-Ring Substituted Primary Aromatic Amines OR SN1 OR SN1 >>
Alkylation after metabolically formed carbenium ion species OR SN1 >>
Alkylation after metabolically formed carbenium ion species >>
Polycyclic Aromatic Hydrocarbon Derivatives OR SN1 >> Nucleophilic
attack after carbenium ion formation OR SN1 >> Nucleophilic attack after
carbenium ion formation >> N-Nitroso Compounds OR SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation OR SN1 >> Nucleophilic
attack after metabolic nitrenium ion formation >> Fused-Ring Primary
Aromatic Amines OR SN1 >> Nucleophilic attack after metabolic nitrenium
ion formation >> p-Aminobiphenyl Analogs OR SN1 >> Nucleophilic attack
after metabolic nitrenium ion formation >> Single-Ring Substituted
Primary Aromatic Amines OR SN1 >> Nucleophilic attack after nitrenium
and/or carbenium ion formation OR SN1 >> Nucleophilic attack after
nitrenium and/or carbenium ion formation >> N-Nitroso Compounds OR SN2
OR SN2 >> Alkylation, direct acting epoxides and related OR SN2 >>
Alkylation, direct acting epoxides and related >> Epoxides and
Aziridines OR SN2 >> Alkylation, direct acting epoxides and related
after P450-mediated metabolic activation OR SN2 >> Alkylation, direct
acting epoxides and related after P450-mediated metabolic activation >>
Polycyclic Aromatic Hydrocarbon Derivatives OR SN2 >> Direct acting
epoxides formed after metabolic activation OR SN2 >> Direct acting
epoxides formed after metabolic activation >> Quinoline Derivatives OR
SN2 >> SN2 at an activated carbon atom OR SN2 >> SN2 at an activated
carbon atom >> Quinoline Derivatives 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 >> P450 Mediated Activation to
Quinones and Quinone-type Chemicals OR Michael addition >> P450 Mediated
Activation to Quinones and Quinone-type Chemicals >> Arenes OR Michael
addition >> P450 Mediated Activation to Quinones and Quinone-type
Chemicals >> Polycyclic (PAHs) and heterocyclic (HACs) aromatic
hydrocarbons-Michael addition OR SN1 OR SN1 >> Nitrenium Ion formation
OR SN1 >> Nitrenium Ion formation >> Primary aromatic amine by DNA
binding by OECD
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Not calculated by Biodeg BioHC
half-life (Biowin) ONLY
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as days - weeks by Biodeg primary
(Biowin 4) ONLY
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Biodegrades Fast by Biodeg
probability (Biowin 1) ONLY
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Biodegrades Fast by Biodeg
probability (Biowin 2) ONLY
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 5) ONLY
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 6) ONLY
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Does NOT Biodegrade Fast by
Biodeg probability (Biowin 7) ONLY
Domain
logical expression index: "r"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is >= 178
Da
Domain
logical expression index: "s"
Parametric
boundary:The
target chemical should have a value of Molecular weight which is <= 295
Da
Description of key information
Biodegradability of N-(2-phenoxyphenyl)methanesulfonamide is predicted using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor (2017). Test substance undergoes 15.6% degradation by BOD in 28 days.Thus, based on percentage degradation, the test chemical N-(2 -phenoxyphenyl)methane sulfonamide was estimated to be not readily biodegradable in water.
Key value for chemical safety assessment
- Biodegradation in water:
- under test conditions no biodegradation observed
Additional information
Predicted data for the target compound N-(2-phenoxyphenyl)methanesulfonamide (CAS No. 51765-51-6) and various study for its read across substance were reviewed for the biodegradation end point which are summarized as below:
For target chemical N-(2-phenoxyphenyl)methanesulfonamide(CAS No. 51765-51-6), biodegradability is predicted using OECD QSAR toolbox version 3.3 with logKow as the primary descriptor (2017). Test substance undergoes 15.6% degradation by BOD in 28 days. Thus, based on percentage degradation, the test chemical N-(2 -phenoxyphenyl)methane sulfonamide was estimated to be not readily biodegradable in water.
Estimation Programs Interface Suite (EPI suite, 2017) was run to predict the biodegradation potential of the test compound N-(2-phenoxyphenyl)methanesulfonamide (CAS no. 51765 -51 -6) in the presence of mixed populations of environmental microorganisms. The biodegradability of the substance was calculated using seven different models such as Linear Model, Non-Linear Model, Ultimate Biodegradation Timeframe, Primary Biodegradation Timeframe, MITI LInear Model, MITI Non-Linear Model and Anaerobic Model (called as Biowin 1-7, respectively) of the BIOWIN v4.10 software. The results indicate that N-(2 -phenoxyphenyl)methanesulfonamide is expected to be not readily biodegradable.
In a weight of evidence study from authoritative database (J-CHECK, 2016), experiment was conducted for 28 days for evaluating the percentage biodegradability of read across substance 1-methyl-3-phenoxybenzene (CAS no. 3586-14-9). Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of read across substance was determined to be 2% and 1% by BOD and GC parameter in 28 days. Thus, based on percentage degradation, 1 -methyl-3 -phenoxybenzene is considered to be not readily biodegradable in nature.
For another read across chemical N-butylbenzenesulfonamide (CAS no. 3622 -84 -2), biodegradation study was conducted for 28 days for evaluating the percentage biodegradability of test substance. Concentration of inoculum i.e, sludge used was 30 mg/l and initial test substance conc. used in the study was 100 mg/l, respectively. The percentage degradation of read across substance was determined to be 0% and 1% by BOD, HPLC and TOC removal parameter in 28 days. Thus, based on percentage degradation, N-butylbenzenesulfonamide is considered to be not readily biodegradable in nature.
Another biodegradation study for the same read across substance N-butylbenzenesulfonamide (CAS no. 3622-84-2) was conducted for 28 days for evaluating the percentage biodegradability of substance (U.S. Environmental Protection Agency, 2016).The study was performed according to OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test) at a temperature of20-23°C.Initial test substance conc. used in the study was 45 and 45.2 mg/l (mg CO2/l) & 21.8 and 21.75 mg/l (based on test mat.), respectively. Activated sludge was used as a test inoculum obtained fromsewage treatment plant. Concentrated sludge (6.5 g solids/L) was left to settle for 30 min; the decanted liquid was used as inoculum (7.65 ml/L mineral medium).Sampling was carried out on day 1, 4, 6, 8, 11, 14, 18, 22, 26 and 28, respectively. Sodium acetate of conc. 40.2 mg/l was used as a reference substance for the study. Reference substance undergoes percentage degradation of 105% after 28 days. The percentage degradation of read across substance was determined to be 12% and 23% byCO2 evolution in 28 days. Thus, based on percentage degradation, N-butylbenzenesulfonamide is considered to be not readily biodegradable in nature.
For the same read across chemical N-butylbenzenesulfonamide (CAS no. 3622-84-2) from secondary source (High Production Volume Challenge Program, 2016), biodegradation study was conducted for 28 days for evaluating the percentage biodegradability. The study was performed according to OECD Guideline 301 B (Ready Biodegradability: CO2 Evolution Test). Initial test substance conc. used in the study was 21.5 mg/l. Activated sludge was used as a test inoculum. In the toxicity control more than 25% degradation occurred within 14 days (based on ThCO2). Therefore, the test substance was assumed to be not inhibitory. The percentage degradation of read across substance was determined to be18% byCO2 evolution parameter in 28 days. Thus, based on percentage degradation, N-butylbenzenesulfonamide is considered to be not readily biodegradable in nature.
On the basis of above results for target chemical N-(2-phenoxyphenyl)methanesulfonamide (fromOECD QSAR toolbox version 3.3 and EPI Suite, 2017) and for its read across substance (from authoritative database J-CHECK, 2016 and secondary source High Production Volume Challenge Program, 2016), it can be concluded that the test substance N-(2-phenoxyphenyl)methanesulfonamide can be expected to be not readily biodegradable in nature.
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.
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