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Diss Factsheets
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EC number: 904-139-6 | 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
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- January 15, 2018
- 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:
- The model is been assessed according to the OECD principles for the validation of QSAR, to generate a transparent, understandable, reproducible and verifiable result.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: ECHA Guidance on information requirements and chemical safety assessment - Chapter R.06: QSARs and grouping of chemicals
- Principles of method if other than guideline:
- The models are made in two independent systems: Leadscope Predictive Data Miner (LS) and SciQSAR (SQ). Based on predictions from each of the applied systems, a battery prediction is made using a so-called battery algorithm. The battery approach can give more reliable predictions and can also expand the applicability domain, which was shown in a previous pilot project including 32 different models and the systems mentioned above (not published).
For the acute aquatic toxicity estimations, QSAR predictions are made in each of the independent QSAR model systems and combined into a battery prediction by using the criteria shown in the following table. The first column shows the total number of predictions (positive/negative) in domain. The next two columns show the number of positive and negative predictions, respectively. The final battery prediction based on the individual predictions is shown in the fourth column.
Total POS/NEG POS NEG Battery prediction (a)
in domain in domain in domain
2 2 0 POS_IN
2 1 1 INC_OUT
2 0 2 NEG_IN
(a) POS, positive; NEG, negative; INC, inconclusive; IN, inside applicability domain; OUT, outside applicability domain.
The QSARs for acute aquatic toxicity generally works well within an order of magnitude. QSAR performance: Fish > Daphnia > Algae but test data also vary pretty much. - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Daphnia magna
- Test type:
- other: in silico estimation
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 5 487 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Reported statistics and error estimates:
- Endpoint N in training set Software Cross validation result (%)
------------------------------------------------------------------------------------------------------------------------------------------------------
Daphnia magna 48h EC50 (mg/L) 626 Leadscope R2=0.67, Q2=0.64
SciQSAR R2=0.65, Q2=0.63 - Validity criteria fulfilled:
- yes
- Remarks:
- Inside model domain
- Conclusions:
- The short-term toxicity EC 50 (48h) of 1,2-diethyl citrate on Daphnia magna was estimated to be 5487 mg/L.
- Executive summary:
The short-term toxicity EC 50 (48h) of 1,2-diethyl citrate on Daphnia magna was estimated to be 5487 mg/L.
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- January 15, 2018
- 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:
- The model is been assessed according to the OECD principles for the validation of QSAR, to generate a transparent, understandable, reproducible and verifiable result.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: ECHA Guidance on information requirements and chemical safety assessment - Chapter R.06: QSARs and grouping of chemicals
- Principles of method if other than guideline:
- The models are made in two independent systems: Leadscope Predictive Data Miner (LS) and SciQSAR (SQ). Based on predictions from each of the applied systems, a battery prediction is made using a so-called battery algorithm. The battery approach can give more reliable predictions and can also expand the applicability domain, which was shown in a previous pilot project including 32 different models and the systems mentioned above (not published).
For the acute aquatic toxicity estimations, QSAR predictions are made in each of the independent QSAR model systems and combined into a battery prediction by using the criteria shown in the following table. The first column shows the total number of predictions (positive/negative) in domain. The next two columns show the number of positive and negative predictions, respectively. The final battery prediction based on the individual predictions is shown in the fourth column.
Total POS/NEG POS NEG Battery prediction (a)
in domain in domain in domain
2 2 0 POS_IN
2 1 1 INC_OUT
2 0 2 NEG_IN
(a) POS, positive; NEG, negative; INC, inconclusive; IN, inside applicability domain; OUT, outside applicability domain.
The QSARs for acute aquatic toxicity generally works well within an order of magnitude. QSAR performance: Fish > Daphnia > Algae but test data also vary pretty much. - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Daphnia magna
- Test type:
- other: in silico estimation
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 9 108 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Reported statistics and error estimates:
- Endpoint N in training set Software Cross validation result (%)
------------------------------------------------------------------------------------------------------------------------------------------------------
Daphnia magna 48h EC50 (mg/L) 626 Leadscope R2=0.67, Q2=0.64
SciQSAR R2=0.65, Q2=0.63 - Validity criteria fulfilled:
- yes
- Remarks:
- Inside model domain
- Conclusions:
- The short-term toxicity EC 50 (48h) of 1-ethyl citrate on Daphnia magna was estimated to be 9108 mg/L.
- Executive summary:
The short-term toxicity EC 50 (48h) of 1-ethyl citrate on Daphnia magna was estimated to be 9108 mg/L.
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- January 15, 2018
- 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:
- The model is been assessed according to the OECD principles for the validation of QSAR, to generate a transparent, understandable, reproducible and verifiable result.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: ECHA Guidance on information requirements and chemical safety assessment - Chapter R.06: QSARs and grouping of chemicals
- Principles of method if other than guideline:
- The models are made in two independent systems: Leadscope Predictive Data Miner (LS) and SciQSAR (SQ). Based on predictions from each of the applied systems, a battery prediction is made using a so-called battery algorithm. The battery approach can give more reliable predictions and can also expand the applicability domain, which was shown in a previous pilot project including 32 different models and the systems mentioned above (not published).
For the acute aquatic toxicity estimations, QSAR predictions are made in each of the independent QSAR model systems and combined into a battery prediction by using the criteria shown in the following table. The first column shows the total number of predictions (positive/negative) in domain. The next two columns show the number of positive and negative predictions, respectively. The final battery prediction based on the individual predictions is shown in the fourth column.
Total POS/NEG POS NEG Battery prediction (a)
in domain in domain in domain
2 2 0 POS_IN
2 1 1 INC_OUT
2 0 2 NEG_IN
(a) POS, positive; NEG, negative; INC, inconclusive; IN, inside applicability domain; OUT, outside applicability domain.
The QSARs for acute aquatic toxicity generally works well within an order of magnitude. QSAR performance: Fish > Daphnia > Algae but test data also vary pretty much. - Analytical monitoring:
- not specified
- Vehicle:
- not specified
- Test organisms (species):
- Daphnia magna
- Test type:
- other: in silico estimation
- Water media type:
- freshwater
- Total exposure duration:
- 48 h
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- 1 566 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Reported statistics and error estimates:
- Endpoint N in training set Software Cross validation result (%)
------------------------------------------------------------------------------------------------------------------------------------------------------
Daphnia magna 48h EC50 (mg/L) 626 Leadscope R2=0.67, Q2=0.64
SciQSAR R2=0.65, Q2=0.63 - Validity criteria fulfilled:
- yes
- Remarks:
- Inside model domain
- Conclusions:
- The short-term toxicity EC 50 (48h) of triethyl citrate on Daphnia magna was estimated to be 1566 mg/L.
- Executive summary:
The short-term toxicity EC 50 (48h) of triethyl citrate on Daphnia magna was estimated to be 1566 mg/L.
Referenceopen allclose all
Substance |
DK |
Exp |
Battery |
Leadscope |
SciQSAR |
Comp. #1 Diethyl citrate |
Fathead minnow 96h LC50 (mg/L) |
|
8081.662 |
13385.18 |
2778.142 |
Domain |
|
IN |
IN |
IN |
|
Daphnia magna 48h EC50 (mg/L) |
|
5487.068 |
4936.674 |
6037.462 |
|
Domain |
|
IN |
IN |
IN |
|
Pseudokirchneriella s. 72h EC50 (mg/L) |
|
358.3004 |
166.3582 |
550.2427 |
|
Domain |
|
IN |
IN |
IN |
Substance |
DK |
Exp |
Battery |
Leadscope |
SciQSAR |
Comp. #2 Monoethyl citrate |
Fathead minnow 96h LC50 (mg/L) |
|
31517.93 |
11533.95 |
|
Domain |
|
OUT |
OUT |
OUT |
|
Daphnia magna 48h EC50 (mg/L) |
|
9107.66 |
10626.44 |
7588.879 |
|
Domain |
|
IN |
IN |
IN |
|
Pseudokirchneriella s. 72h EC50 (mg/L) |
|
1648.316 |
292.7843 |
3003.848 |
|
Domain |
|
IN |
IN |
IN |
Substance |
DK |
Exp |
Battery |
Leadscope |
SciQSAR |
Comp. #3 Triethyl citrate |
Fathead minnow 96h LC50 (mg/L) |
|
470.7288 |
296.1523 |
645.3054 |
Domain |
|
IN |
IN |
IN |
|
Daphnia magna 48h EC50 (mg/L) |
|
1566.108 |
2413.488 |
718.729 |
|
Domain |
|
IN |
IN |
IN |
|
Pseudokirchneriella s. 72h EC50 (mg/L) |
|
87.12855 |
29.25803 |
144.9991 |
|
Domain |
|
IN |
IN |
IN |
Description of key information
LC 50 (Daphnia magna, 48h, fw): 1566 ÷ 9108 mg/L
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 1 566 mg/L
Additional information
The short-term toxicity LC 50 (48h, fw) of diethyl citrate technical on Daphnia magna was estimated to be in range 1566 ÷ 9108 mg/L.
For the assessment was conservatively selected the lowest value.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.