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EC number: 234-165-7 | CAS number: 10576-12-2
- 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 aquatic algae and cyanobacteria
Administrative data
Link to relevant study record(s)
- Endpoint:
- toxicity to aquatic algae and cyanobacteria
- 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 the QMRF report has been attached.
- Qualifier:
- according to guideline
- Guideline:
- other: Estimated data
- Principles of method if other than guideline:
- Prediction was done using the OECD QSAR toolbox version 3.3.
- GLP compliance:
- not specified
- Specific details on test material used for the study:
- - Name of test material (IUPAC name) : (E)-(ethyl N-hydroxyethenecarboximidate)
- Common name : Ethyl N-hydroxyacetimidate, Ethyl Acetohydroximate
- Molecular formula : C4H9NO2
- Molecular weight : 103.12 g/mol
- Smiles notation : C(=N/O)(\OCC)C
- InChl : 1S/C4H9NO2/c1-3-7-4(2)5-6/h6H,3H2,1-2H3
- Substance type : Organic
- Physical state : Liquid - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Raphidocelis subcapitata (previous names: Pseudokirchneriella subcapitata, Selenastrum capricornutum)
- Test type:
- static
- Water media type:
- freshwater
- Total exposure duration:
- 72 h
- Hardness:
- No data available
- Test temperature:
- 23 +/- 2°C
- pH:
- 7.6 - 8.3
- Dissolved oxygen:
- No data available
- Salinity:
- No data available
- Conductivity:
- No data available
- Nominal and measured concentrations:
- Estimated data
- Details on test conditions:
- No data available
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 296.406 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Remarks on result:
- other: Nontoxic
- Details on results:
- No data available
- Results with reference substance (positive control):
- No data available
- Reported statistics and error estimates:
- No data available
- Validity criteria fulfilled:
- not specified
- Conclusions:
- The EC50 value was estimated to be 296.405 mg/l when(E)-(ethyl N-hydroxyethenecarboximidate) exposed to Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) for 72hrs.
- Executive summary:
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) was predicted for (E)-(ethyl N-hydroxyethenecarboximidate) (10576-12-2).The EC50 value was estimated to be 296.405 mg/l when (E)-(ethyl N-hydroxyethenecarboximidate) exposed to Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) for 72hrs.
Reference
The
prediction was based on dataset comprised from the following
descriptors: EC50
Estimation method: Takes average value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
(((((((((((("a"
or "b" or "c" or "d" )
and ("e"
and (
not "f")
)
)
and ("g"
and (
not "h")
)
)
and "i" )
and ("j"
and (
not "k")
)
)
and ("l"
and (
not "m")
)
)
and ("n"
and (
not "o")
)
)
and ("p"
and (
not "q")
)
)
and ("r"
and (
not "s")
)
)
and ("t"
and (
not "u")
)
)
and "v" )
and ("w"
and "x" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as Aliphatic Amines by Aquatic
toxicity classification by ECOSAR
Domain
logical expression index: "b"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Ether by Organic
Functional groups
Domain
logical expression index: "c"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Ether AND Overlapping
groups by Organic Functional groups (nested)
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 Azomethine,
aliphatic attach [-N=C] AND Hydroxy, nitrogen attach [-OH] AND Olefinic
carbon [=CH- or =C<] AND Oxime, aliphatic attach [-CH=N-OH] AND Oxygen,
nitrogen attach [-O-] by Organic functional groups (US EPA)
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as No alert found by DNA binding by
OECD
Domain
logical expression index: "f"
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 >>
Benzylamines-Acylation 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 >> Hydroquinones OR Michael addition
>> Polarised Alkenes-Michael addition OR Michael addition >> Polarised
Alkenes-Michael addition >> Alpha, beta- unsaturated esters OR Schiff
base formers OR Schiff base formers >> Chemicals Activated by P450 to
Glyoxal OR Schiff base formers >> Chemicals Activated by P450 to
Glyoxal >> Ethanolamines (including morpholine) OR Schiff base formers
>> Chemicals Activated by P450 to Glyoxal >> Ethylenediamines
(including piperazine) OR Schiff base formers >> Direct Acting Schiff
Base Formers OR Schiff base formers >> Direct Acting Schiff Base Formers
>> Mono aldehydes 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 >> Tertiary
(unsaturated) heterocyclic amine by DNA binding by OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Non binder, non cyclic structure
by Estrogen Receptor Binding
Domain
logical expression index: "h"
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 OR
Weak binder, OH group by Estrogen Receptor Binding
Domain
logical expression index: "i"
Referential
boundary: The
target chemical should be classified as Bioavailable by Lipinski Rule
Oasis ONLY
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Non-Metals by Groups of elements
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as Alkali Earth OR Metalloids OR
Transition Metals by Groups of elements
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as Group 14 - Carbon C AND Group 15
- Nitrogen N AND Group 16 - Oxygen O by Chemical elements
Domain
logical expression index: "m"
Referential
boundary: The
target chemical should be classified as Group 15 - Phosphorus P by
Chemical elements
Domain
logical expression index: "n"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Ether by Organic
Functional groups
Domain
logical expression index: "o"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, primary by
Organic Functional groups
Domain
logical expression index: "p"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Ether by Organic
Functional groups
Domain
logical expression index: "q"
Referential
boundary: The
target chemical should be classified as Ketoxime derivatives by Organic
Functional groups
Domain
logical expression index: "r"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Ether by Organic
Functional groups
Domain
logical expression index: "s"
Referential
boundary: The
target chemical should be classified as N-Hydroxylamine derivatives by
Organic Functional groups
Domain
logical expression index: "t"
Referential
boundary: The
target chemical should be classified as Alkoxy AND Ether by Organic
Functional groups
Domain
logical expression index: "u"
Referential
boundary: The
target chemical should be classified as Aliphatic Amine, secondary by
Organic Functional groups
Domain
logical expression index: "v"
Similarity
boundary:Target:
CCOC(C)=NO
Threshold=30%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization
Domain
logical expression index: "w"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= -0.00301
Domain
logical expression index: "x"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.01
Description of key information
Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) was predicted for (E)-(ethyl N-hydroxyethenecarboximidate) (10576-12-2).The EC50 value was estimated to be 296.405 mg/l when (E)-(ethyl N-hydroxyethenecarboximidate) exposed to Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) for 72hrs.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 296.405 mg/L
Additional information
Based on the various experimental data and prediction data for the target chemical study have been reviewed to determine the toxic nature of (E)-(ethyl N-hydroxyethenecarboximidate) (10576-12-2) on the growth of algae. The studies are as mentioned below:
In the first predicted study for the target chemical (E)-(ethyl N-hydroxyethenecarboximidate) (10576-12-2) from QSAR toolbox 2017, study was carried out. Based on the prediction done using the OECD QSAR toolbox version 3.4 with log kow as the primary descriptor and considering the five closest read across substances, toxicity on Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) was predicted for (E)-(ethyl N-hydroxyethenecarboximidate) (10576-12-2).The EC50 value was estimated to be 296.405 mg/l when (E)-(ethyl N-hydroxyethenecarboximidate) exposed to Pseudokirchneriella subcapitata (previous names: Raphidocelis subcapitata, Selenastrum capricornutum) for 72hrs.
In second predicted study for the target chemical (E)-(ethyl N-hydroxyethenecarboximidate) (10576-12-2) based on the prediction done by EPI suite ECOSAR version 1.10, the short term toxicity on green algae was predicted for test substance (E)-(ethyl N-hydroxyethenecarboximidate) (10576 -12 -2). On the basis of effects observed in a static freshwater system, the effect concentration EC50 value for the substance is estimated to be 432.880 mg/l for green algae for 72 hrs duration. Based on this value, it can be concluded that the test chemical (E)-(ethyl N-hydroxyethenecarboximidate) can be considered as non-toxic to green algae at environmentally relevant concentrations and can be considered not-classified as per the CLP classification criteria.
Similarly in the third weight of evidence study for the second RA chemical 1,1-dimethyl propyl methyl ether (TAME) (994-05-8) (from Chemosphere, 1997) toxicity was measured. Study was conducted to determine the toxic nature of chemical 1,1-dimethyl propyl methyl ether (TAME) on the growth of algae Selenastrum capricornutum. Test was conducted according to the standard test guideline 201. Growth inhibition of liquid cultures of Selenastrum capricornutum (green alga) was determined over a 72 h exposure period. Nominal test concentrations were 0, 6.25, 12.5, 25, 50 and 100 mg/l. completely filled, sealed flasks were used to prevent volatile losses of TAME. The initial inoculum concentration was 1 x 104cells/ml. Nominal concentrations were confirmed by gas chromatography at the beginning and end of the exposure period. The cell concentration in the stock cultures were determined by an electronic cell counter. After the exposure of chemical, EC50 was measured based on the average specific growth rate and area under the growth curves. The NOEC levels were determined to exceed 100 mg/l (p = 0.05). Based on the growth inhibition of Selenastrum capricornutum (green alga) due to the exposure of chemical 1,1-dimethyl propyl methyl ether (TAME), the EbC50 and ErC50 was > 100 mg/l based on the area under the growth curves and average specific growth rate.
Similarly in the fourth weight of evidence study for the read across chemical (111-76-2) from j-check, 2017, Study was conducted for determination of nature of chemical 1-Butoxy-2-hydroxyethan on the growth and other activity of test animal green algae. Test performed under the static system for the total exposure period of 72hrs. After the exposure of chemical 1-Butoxy-2-hydroxyethan, effect concentration was measured at which 50% growth inhibited by the chemical. Based on the growth rate inhibition of green algae, the EC50 and NOEC was > 1000 and 130 MG/L. And on the basis of area under the growth curve and biomass rate the EC50 and NOEC was 630 mg/l and 63 mg/l. Thus the chemical was concluded as nontoxic and can be consider to be not classified as per the CLP classification criteria.
Based on the data obtain from various predicted and experimental studies for the toxicity on invertebrates due to the exposure of (E)-(ethyl N-hydroxyethenecarboximidate) (10576-12-2) it was concluded that the chemical (E)-(ethyl N-hydroxyethenecarboximidate) was consider as nontoxic and can be consider to be not classified as toxic to aquatic algae as per CLP classification criteria.
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