Registration Dossier
Registration Dossier
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EC number: 223-841-7 | CAS number: 4093-34-9
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- 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 limited documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EPI-SUITE EPA (USA)
2. MODEL (incl. version number)
ECOSAR v1.1
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : Brc1cc(c(cc1NC(C)=O)OC)C(=O)OC
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
The QMRF is available in "Attached justification".
5. APPLICABILITY DOMAIN
The QPRF is available in “Attached justification”.
6. ADEQUACY OF THE RESULT
The QPRF is available in “Attached justification”. - Guideline:
- other: REACH Guidance on QSARs R.6.
- Principles of method if other than guideline:
- The ECOSAR User Manual, ECOSAR. A Computer Program for Estimating the Ecotoxicity of Industrial Chemicals (EPA-748-R-93-002)
Estimating Toxicity of Industrial Chemicals to Aquatic Organisms Using Structure Activity Relationships (EPA-748-R-93-001).
ECOSAR v1.11 Methodology Document.
ECOSAR v1.11 Operation Manual. - GLP compliance:
- no
- Remarks:
- not applicable to QSAR models
- Specific details on test material used for the study:
- SMILES : Brc1cc(c(cc1NC(C)=O)OC)C(=O)OC
- Key result
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 122.877 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mortality
- Remarks on result:
- other: ester class
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The estimated 48 -h LC50 for Daphnia is 122.877 mg/l (ECOSAR v1.1, esters).
- Executive summary:
The estimated 48 -h LC50 for Daphnia is 122.877 mg/l (ECOSAR v1.1, esters).
- 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 limited documentation / justification
- Justification for type of information:
- 1. SOFTWARE
EPI-SUITE EPA (USA)
2. MODEL (incl. version number)
ECOSAR v1.1
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
SMILES : Brc1cc(c(cc1NC(C)=O)OC)C(=O)OC
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
The QMRF is available in "Attached justification".
5. APPLICABILITY DOMAIN
The QPRF is available in “Attached justification”.
6. ADEQUACY OF THE RESULT
The QPRF is available in “Attached justification”. - Guideline:
- other: REACH Guidance on QSARs R.6.
- Principles of method if other than guideline:
- The ECOSAR User Manual, ECOSAR. A Computer Program for Estimating the Ecotoxicity of Industrial Chemicals (EPA-748-R-93-002)
Estimating Toxicity of Industrial Chemicals to Aquatic Organisms Using Structure Activity Relationships (EPA-748-R-93-001).
ECOSAR v1.11 Methodology Document.
ECOSAR v1.11 Operation Manual. - GLP compliance:
- no
- Remarks:
- not applicable to QSAR models
- Specific details on test material used for the study:
- SMILES : Brc1cc(c(cc1NC(C)=O)OC)C(=O)OC
- Key result
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 172.721 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mortality
- Remarks on result:
- other: amide class
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The estimated 48 -h LC50 for Daphnia is 172.721 mg/l (ECOSAR v1.1, amides).
- Executive summary:
The estimated 48 -h LC50 for Daphnia is 172.721 mg/l (ECOSAR v1.1, amides).
Referenceopen allclose all
Description of key information
Key study: Internationally accepted method, ECOSAR, EPA (USA). The estimated 48 -h LC50 for Daphnia is 122.877 mg/l (ECOSAR v1.1, esters).
Key study: Internationally accepted method, ECOSAR, EPA (USA). The estimated 48 -h LC50 for Daphnia is 172.721 mg/l (ECOSAR v1.1, amides).
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 122.877 mg/L
Additional information
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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