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Diss Factsheets
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EC number: 946-882-9 | CAS number: -
- 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
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Remarks:
- estimated
- Type of information:
- (Q)SAR
- Remarks:
- ECOSAR by EPI SUITE v1.0 and 1.11
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs: Chapter R.6. QSARs and grouping of chemicals
- Deviations:
- no
- Specific details on test material used for the study:
- 3,5,5 trimethylhexanoic acid hexaesters of dipentaerythritol
SMILES: CC(CC(C)(C)C)CC(=O)OCC(COC(=O)CC(CC(C)(C)C)C)(COC(=O)CC(CC(C)(C)C)C)COCC(COC(=O)CC(CC(C)(C)C)C)(COC(=O)CC(CC(C)(C)C)C)COC(=O)CC(CC(C)(C)C)C
MOL FOR: C64 H118 O13
MOL WT: 1095.65 - Analytical monitoring:
- not required
- Test organisms (species):
- Daphnia magna
- Test type:
- other: QSAR (ECOSAR v 1.0 and 1.11)
- Total exposure duration:
- 48 h
- Key result
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 0 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR
- Basis for effect:
- mortality
- Details on results:
- The test substance falls in the category of Esters.
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- Under the study conditions, 48 h EC50 for Daphnia sp. is estimated to be 6.26-E10 mg/L. The log Kow of the test substance is greater than the endpoint specific cut-off of 5 for model prediction, therefore no effects at saturation is expected. This is in agreement with the negligible water solubility of the test substance.
- Executive summary:
A study was conducted to determine the toxicity of the test substance to aquatic invertebrates using the EPI SUITE ECOSAR v 1.0 and 1.11 model. The test substance falls in the category of Esters. Under the study conditions, 48 h EC50 for Daphnia sp. is estimated to be 6.26-E10 mg/L. The log Kow of the test substance is greater than the endpoint specific cut-off of 5 for model prediction, therefore no effects at saturation is expected. This is in agreement with the negligible water solubility of the test substance (US EPA, 2012).
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Remarks:
- estimated
- Type of information:
- (Q)SAR
- Remarks:
- ECOSAR by EPI SUITE v1.0 and 1.11
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs: Chapter R.6. QSARs and grouping of chemicals
- Deviations:
- no
- Specific details on test material used for the study:
- Hexaesters of dipentaerythritol, with one molecule valeric acid and five molecules 3,5,5 trimethylhexanoic acid
SMILES:
CCCCC(=O)OCC(COC(=O)CC(CC(C)(C)C)C)(COC(=O)CC(CC(C)(C)C)C)COCC(COC(=O)CC(CC(C)(C)C)C)(COC(=O)CC(CC(C)(C)C)C)COC(=O)CC(CC(C)(C)C)C
MOL FOR: C60 H110 O13
MOL WT: 1039.54 - Analytical monitoring:
- not required
- Test organisms (species):
- Daphnia magna
- Test type:
- other: QSAR (ECOSAR v 1.0 and 1.11)
- Total exposure duration:
- 48 h
- Key result
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 0 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR
- Basis for effect:
- mortality
- Details on results:
- The test substance falls in the category of Esters.
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- Under the study conditions, 48 h EC50 for Daphnia sp. is estimated to be 7.87 E-9 mg/L. The log Kow of the test substance is greater than the endpoint specific cut-off of 5 for model prediction, therefore no effects at saturation is expected. This is in agreement with the negligible water solubility of the test substance.
- Executive summary:
A study was conducted to determine the toxicity of the test substance to aquatic invertebrates using the EPI SUITE ECOSAR v 1.0 and 1.11 model. The test substance falls in the category of Esters. Under the study conditions, 48 h EC50 for Daphnia sp. is estimated to be 7.87 E-9 mg/L. The log Kow of the test substance is greater than the endpoint specific cut-off of 5 for model prediction, therefore no effects at saturation is expected. This is in agreement with the negligible water solubility of the test substance (US EPA, 2012).
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Remarks:
- estimated
- Type of information:
- (Q)SAR
- Remarks:
- ECOSAR by EPI SUITE v1.0 and 1.11
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs: Chapter R.6. QSARs and grouping of chemicals
- Deviations:
- no
- Specific details on test material used for the study:
- Fatty acids, C5-9, hexaesters with dipentaerythritol
SMILES: O=C(CC(C)CC(C)(C)C)OCC(COC(=O)CC(C)CC(C)(C)C)(COC(=O)CCCCCC)COCC(COC(=O)CC(C)CC(C)(C)C)(COC(=O)CC(C)CC(C)(C)C)COC(=O)CCCC
CHEM : Fatty acids, one molecule of C7 acid and 5 molecules of iC9 acid, hexaester with DPE
MOL FOR: C58 H106 O13
MOL WT: 1011.48 - Analytical monitoring:
- not required
- Test organisms (species):
- Daphnia magna
- Test type:
- other: QSAR (ECOSAR v 1.0 and 1.11)
- Total exposure duration:
- 48 h
- Key result
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 0 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- other: QSAR
- Basis for effect:
- mortality
- Details on results:
- The test substance falls in the category of Esters.
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- Under the study conditions, 48 h EC50 for Daphnia sp. is estimated to be 2.44E-8 mg/L. The log Kow of the test substance is greater than the endpoint specific cut-off of 5 for model prediction, therefore no effects at saturation is expected. This is in agreement with the negligible water solubility of the test substance.
- Executive summary:
A study was conducted to determine the toxicity of the test substance to aquatic invertebrates using the EPI SUITE ECOSAR v 1.0 and 1.11 model. The test substance falls in the category of Esters. Under the study conditions, 48 h EC50 for Daphnia sp. is estimated to be 2.44E-8 mg/L. The log Kow of the test substance is greater than the endpoint specific cut-off of 5 for model prediction, therefore no effects at saturation is expected. This is in agreement with the negligible water solubility of the test substance (US EPA, 2012).
Referenceopen allclose all
If the log Kow of the chemical is greater than the endpoint specific cut-offs, then no effects at saturation are expected for those endpoints.
Maximum LogKow for esters : 5.0 (Fish 96-hr LC50; Daphnid LC50, Mysid LC50).
If the log Kow of the chemical is greater than the endpoint specific cut-offs, then no effects at saturation are expected for those endpoints.
Maximum Log Kow for esters : 5.0 (Fish 96-hr LC50; Daphnid LC50, Mysid LC50).
If the log Kow of the chemical is greater than the endpoint specific cut-offs, then no effects at saturation are expected for those endpoints.
Maximum LogKow for esters : 5.0 (Fish 96-hr LC50; Daphnid LC50, Mysid LC50).
Description of key information
Based on QSAR estimations, no toxicity of the test substance to aquatic invertebrates at saturation is expected.
Key value for chemical safety assessment
Additional information
A study was conducted to determine the toxicity of one of the main constituents of the test substance, 3,5,5 trimethylhexanoic acid hexaesters of dipentaerythritol, to aquatic invertebrates using the EPI SUITE ECOSAR v 1.0 and 1.11 model. The test substance falls in the category of Esters. Under the study conditions, 48 h EC50 for Daphnia sp. was estimated to be 6.26-E10 mg/L. The log Kow of the test substance is greater than the endpoint specific cut-off of 5 for model prediction, therefore no effects at saturation is expected. This is in agreement with the negligible water solubility of the test substance (US EPA, 2012).
A study was conducted to determine the toxicity of a second main constituent of the test substance, hexaesters of dipentaerythritol (with one molecule valeric acid and five molecules 3,5,5 trimethylhexanoic acid), to aquatic invertebrates using the EPI SUITE ECOSAR v 1.0 and 1.11 model. The test substance falls in the category of Esters. Under the study conditions, 48 h EC50 for Daphnia sp. was estimated to be 7.87 E-9 mg/L. The log Kow of the test substance is greater than the endpoint specific cut-off of 5 for model prediction, therefore no effects at saturation is expected. This is in agreement with the negligible water solubility of the test substance (US EPA, 2012).
A study was conducted to determine the toxicity of a third main constituent of the test substance, fatty acids, C5-9, hexaesters with dipentaerythritol, to aquatic invertebrates using the EPI SUITE ECOSAR v 1.0 and 1.11 model. The test substance falls in the category of Esters. Under the study conditions, 48 h EC50 for Daphnia sp. was estimated to be 2.44E-8 mg/L. The log Kow of the test substance is greater than the endpoint specific cut-off of 5 for model prediction, therefore no effects at saturation is expected. This is in agreement with the negligible water solubility of the test substance (US EPA, 2012).
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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