Registration Dossier
Registration Dossier
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EC number: 230-908-4 | CAS number: 7365-82-4
Short-term toxicity to aquatic invertebrates
Administrative data
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- 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 adequate and reliable documentation / justification
- Justification for type of information:
- Please refer to QPRF/QMRF documentation for detailed information on model suitability.
Data source
Referenceopen allclose all
- Reference Type:
- other: computer model
- Title:
- ECOSAR v1.11
- Author:
- US Environmental Protection Agency's Office of Chemical Safety and Pollution Prevention
- Year:
- 2 017
- Bibliographic source:
- https://www.epa.gov/tsca-screening-tools/ecological-structure-activity-relationships-ecosar-predictive-model
- Reference Type:
- other: Estimation software
- Title:
- Estimation Programs Interface Suite for Microsoft Windows, v4.11
- Author:
- US EPA
- Year:
- 2 012
- Bibliographic source:
- United States Environmental Protection Agency, Washington DC, USA; November 2012
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
- Version / remarks:
- May 2008
- Principles of method if other than guideline:
- QSAR prediction using ECOSAR v1.11.
- GLP compliance:
- no
Test material
- Reference substance name:
- N-(carbamoylmethyl)taurine
- EC Number:
- 230-908-4
- EC Name:
- N-(carbamoylmethyl)taurine
- Cas Number:
- 7365-82-4
- Molecular formula:
- C4H10N2O4S
- IUPAC Name:
- N-(carbamoylmethyl)taurine
- Test material form:
- solid
Constituent 1
Sampling and analysis
- Analytical monitoring:
- not specified
Test solutions
- Vehicle:
- not specified
Test organisms
- Test organisms (species):
- Daphnia sp.
- Details on test organisms:
- SMILES : O=C(N)CNCCS(=O)(=O)O
CHEM : N-(carbamoylmethyl)taurine
CAS Num: 7365-82-4
MOL FOR: C4 H10 N2 O4 S1
MOL WT : 182.20
Log Kow: -4.490
Wat Sol: 1E+006
Study design
- Test type:
- not specified
- Water media type:
- not specified
- Total exposure duration:
- 48 h
Results and discussion
Effect concentrationsopen allclose all
- Key result
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- ca. 360 000 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR
- Remarks:
- Aliphatic Amines-acid class
- Basis for effect:
- other: Predicted
- Key result
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- ca. 52 000 000 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR
- Remarks:
- Amides -acid class
- Basis for effect:
- other: predicted
- Remarks on result:
- other: this chemical may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported.
- Key result
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- ca. 31 500 000 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR
- Remarks:
- Neutral Organic SAR(Baseline Toxicity)
- Basis for effect:
- other: predicted
- Remarks on result:
- other: this chemical may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported.
- Details on results:
- see QPRF/QMRF
Applicant's summary and conclusion
- Conclusions:
- ECOSAR v1.11 predicted 48-hr LC50 for Daphnids = 3.6e+005 mg/L (Aliphatic Amines-acid class);
ECOSAR v1.11 predicted 48-hr LC50 for Daphnids = 5.22e+008 mg/L* (Amides -acid class) - this chemical may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported.
ECOSAR v1.11 predicted 48-hr LC50 for Daphnids = 3.15e+007 mg/L* (Neutral Organic SAR(Baseline Toxicity)) - this chemical may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported. - Executive summary:
ECOSAR v1.11 predicted 48-hr LC50 for Daphnids = 3.6e+005 mg/L (Aliphatic Amines-acid class);
ECOSAR v1.11 predicted 48-hr LC50 for Daphnids = 5.22e+008 mg/L* (Amides -acid class) - this chemical may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported.
ECOSAR v1.11 predicted 48-hr LC50 for Daphnids = 3.15e+007 mg/L* (Neutral Organic SAR(Baseline Toxicity)) - this chemical may not be soluble enough to measure this predicted effect. If the effect level exceeds the water solubility by 10X, typically no effects at saturation (NES) are reported.
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