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EC number: 228-937-2 | CAS number: 6375-46-8
- 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:
- The supporting QMRF report has been attached
- Qualifier:
- according to guideline
- Guideline:
- other: Refer below principle
- 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: N-[3-(diethylamino)phenyl]acetamide
- Molecular formula: C12H18N2O
- Molecular weight: 206.287 g/mol
- Smiles notation: O=C(Nc1cccc(N(CC)CC)c1)C
- InChl: 1S/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15)
- Substance type: Organic
- Physical state: Solid - 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
- Test temperature:
- 23 deg.C
- pH:
- 7.8
- Reference substance (positive control):
- not specified
- Key result
- Duration:
- 72 h
- Dose descriptor:
- EC50
- Effect conc.:
- 440.58 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- growth rate
- Validity criteria fulfilled:
- not specified
- Conclusions:
- Using OECD QSAR toolbox version 3.3 the median Effective concentration (EC50) value for test chemical N-[3-(diethylamino)phenyl]acetamide on Pseudokirchneriella subcapitata in a 72 hour study was estimated to be 440.58 mg/L on the basis of effects on growth rate.
- 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 five closest read across substances, the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance N-[3-(diethylamino)phenyl]acetamide. EC50 value was estimated to be 440.58 mg/l for Pseudokirchneriella subcapitata for 72 h duration. This effect value indicating that the substance N-[3-(diethylamino)phenyl]acetamide (CAS no. 6375-46-8) does not pose a significant hazard to algae and thus consider to be not classifies as per the CLP classification criteria.
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" )
and ("d"
and (
not "e")
)
)
and ("f"
and (
not "g")
)
)
and ("h"
and (
not "i")
)
)
and "j" )
and ("k"
and (
not "l")
)
)
and ("m"
and "n" )
)
Domain
logical expression index: "a"
Referential
boundary: The
target chemical should be classified as SN1 AND SN1 >> Nitrenium Ion
formation AND SN1 >> Nitrenium Ion formation >> Tertiary aromatic amine
by DNA binding by OECD
Domain
logical expression index: "b"
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: "c"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Direct Acylation Involving a Leaving group AND Acylation >> Direct
Acylation Involving a Leaving group >> Acetates by Protein binding by
OECD
Domain
logical expression index: "d"
Referential
boundary: The
target chemical should be classified as Non binder, without OH or NH2
group by Estrogen Receptor Binding
Domain
logical expression index: "e"
Referential
boundary: The
target chemical should be classified as Moderate binder, OH grooup OR
Non binder, impaired OH or NH2 group OR Non binder, MW>500 OR Non
binder, non cyclic structure OR Strong binder, NH2 group OR Strong
binder, OH group OR Very strong binder, OH group OR Weak binder, OH
group by Estrogen Receptor Binding
Domain
logical expression index: "f"
Referential
boundary: The
target chemical should be classified as Acylation AND Acylation >>
Direct Acylation Involving a Leaving group AND Acylation >> Direct
Acylation Involving a Leaving group >> Acetates by Protein binding by
OECD
Domain
logical expression index: "g"
Referential
boundary: The
target chemical should be classified as Acylation >> Direct Acylation
Involving a Leaving group >> Anhydrides OR Acylation >> Direct Acylation
Involving a Leaving group >> Azlactone OR Acylation >> Ring Opening
Acylation OR Acylation >> Ring Opening Acylation >> alpha-Lactams OR
Michael addition OR Michael addition >> Acid imides OR Michael addition
>> Acid imides >> Acid imides-MA OR Michael addition >> Polarised
Alkenes OR Michael addition >> Polarised Alkenes >> Polarised alkene -
amides OR Michael addition >> Polarised Alkenes >> Polarised alkene -
esters OR Michael addition >> Polarised Alkenes >> Polarised alkene -
ketones OR No alert found OR SN2 OR SN2 >> Epoxides and Related
Chemicals OR SN2 >> Epoxides and Related Chemicals >> Epoxides OR SN2 >>
SN2 reaction at sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon
atom >> Alkyl diazo OR SN2 >> SN2 reaction at sp3 carbon atom >>
alpha-Halocarbonyls OR SNAr OR SNAr >> Nucleophilic aromatic
substitution OR SNAr >> Nucleophilic aromatic substitution >> Activated
halo-benzenes by Protein binding by OECD
Domain
logical expression index: "h"
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: "i"
Referential
boundary: The
target chemical should be classified as Highly reactive (GSH) OR Highly
reactive (GSH) >> 3-Alken-2-ones (MA) OR Moderately reactive (GSH) OR
Moderately reactive (GSH) >> Substituted 1-Alken-3-ones (MA) OR Slightly
reactive (GSH) OR Slightly reactive (GSH) >> Substituted haloacetamides
(SN2) by Protein binding potency
Domain
logical expression index: "j"
Referential
boundary: The
target chemical should be classified as Class 5 (Not possible to
classify according to these rules) by Acute aquatic toxicity
classification by Verhaar (Modified) ONLY
Domain
logical expression index: "k"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group All Lipid
Solubility < 0.01 g/kg AND (!Undefined)Group CN Lipid Solubility < 0.4
g/kg AND Group CN Vapour Pressure < 0.001 Pa by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "l"
Referential
boundary: The
target chemical should be classified as (!Undefined)Group C Surface
Tension > 62 mN/m OR (!Undefined)Group CNS Surface Tension > 62 mN/m OR
Group All log Kow < -3.1 OR Group All log Kow > 9 OR Group All Melting
Point > 200 C OR Group C Aqueous Solubility < 0.0001 g/L OR Group C
Melting Point > 55 C OR Group C Molecular Weight > 350 g/mol OR Group C
Vapour Pressure < 0.0001 Pa OR Group CN Aqueous Solubility < 0.0001 g/L
OR Group CN Aqueous Solubility < 0.1 g/L OR Group CN log Kow > 4.5 OR
Group CN log Kow > 5.5 OR Group CN Melting Point > 180 C OR Group CN
Molecular Weight > 290 g/mol OR Group CNS log Kow < 0.5 OR Group CNS
Melting Point > 120 C OR Group CNS Melting Point > 50 C by Skin
irritation/corrosion Exclusion rules by BfR
Domain
logical expression index: "m"
Parametric
boundary:The
target chemical should have a value of log Kow which is >= 0.247
Domain
logical expression index: "n"
Parametric
boundary:The
target chemical should have a value of log Kow which is <= 3.61
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 algae and cyanobacteria was predicted for target substance N-[3-(diethylamino)phenyl]acetamide . EC50 value was estimated to be 440.58 mg/l for Pseudokirchneriella subcapitata for 72 h duration. This effect value indicating that the substance N-[3-(diethylamino)phenyl]acetamide (CAS no. 6375-46-8) does not pose a significant hazard to algae and thus consider to be not classifies as per the CLP classification criteria.
Key value for chemical safety assessment
- EC50 for freshwater algae:
- 440.58 mg/L
Additional information
Four studies including predicted data from validated tool and experimental data from authorative database for toxicity to aquatic algae endpoint of test chemical N-[3-(diethylamino)phenyl]acetamide (Cas no. 6375-46-8) with relevant read across which is close to target using log Kow as primary descriptor were summarised as follows:
Using the OECD QSAR toolbox version 3.3 with log kow as the primary descriptor and considering the six closest read across substances, which indicate the short term toxicity on aquatic algae and cyanobacteria was predicted for target substance N-[3-(diethylamino)phenyl]acetamide (Cas no. 6375-46-8) .The EC50 value was estimated to be 440.58 mg/l for Pseudokirchneriella subcapitata for 72 h duration.
Above predicted result for target assist by experimental data of read across chemical Caprolactam (Cas no. 105-60-2) from authorative database Japan chemicals collaborative knowledge database (J-check), 2017; indicate toxicity to green algae study was carried out according to OECD Guideline 201 (Alga, Growth Inhibition Test) .The study was based on the growth rate effects of the test compound Caprolactam (Cas no.105-60-2) on green algae. Based on growth effects the EC50 value was observed to be >1000 mg/l and no observed effect concentration (NOEC) was observed to be 1000 mg/l.
Another read across Dodecane-12-lactam (Cas no. 947-04-6) from same data source i.e (J-check), 2017 suggest Toxicity to green algae study was carried out .The study was based on the growth rate effects of the test compound Dodecane-12-lactam (Cas no.947-04-6)on green algae. Based on growth effects the EC50 value was observed to be >100 mg/l and no observed effect concentration (NOEC) was observed to be 16 mg/l.
And read across 1-ethenylpyrrolidin-2-one (Cas no. 88-12-0) indicate According to experimental method the 50 percent inhibition of reproduction (EC50) and 50 percent reduction in inhibition of growth rate of chemical 1-ethenylpyrrolidin-2-one in test species Scenedesmus subspicatus was observed to be 770 mg/L and >1000 mg/L, respectively. (OECD HPV Chemical Programme, 2010)
Thus based on the various effects from all above studies give the conclusion that test substance N-[3-(diethylamino)phenyl]acetamide (Cas no. 6375-46-8) was likely to be non toxic to aquatic algae as it not meet the classification criteria of aquatic toxicity as per the CLP regulation.
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