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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 fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to fish
- 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):
- Pimephales promelas
- Test type:
- other: in silico estimation
- Water media type:
- freshwater
- Total exposure duration:
- 96 h
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 8 082 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mortality (fish)
- Reported statistics and error estimates:
- Endpoint N in training set Software Cross validation result (%)
--------------------------------------------------------------------------------------------------------------------------------------------
Fathead minnow 96h LC50 (mg/L) 565 Leadscope R2=0.75, Q2=0.73
SciQSAR R2=0.74, Q2=0.72 - Sublethal observations / clinical signs:
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
- Validity criteria fulfilled:
- yes
- Remarks:
- Inside model domain
- Conclusions:
- The short-term toxicity LC 50 (96h) of 1,2-diethyl citrate on Pimephales promelas (fathead minnow) was estimated to be 8082 mg/L.
- Executive summary:
The short-term toxicity LC 50 (96h) of 1,2-diethyl citrate on Pimephales promelas (fathead minnow) was estimated to be 8082 mg/L.
- Endpoint:
- short-term toxicity to fish
- 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):
- Pimephales promelas
- Test type:
- other: in silico estimation
- Water media type:
- freshwater
- Total exposure duration:
- 96 h
- Duration:
- 96 h
- Dose descriptor:
- LC50
- Effect conc.:
- 471 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mortality (fish)
- Reported statistics and error estimates:
- Endpoint N in training set Software Cross validation result (%)
--------------------------------------------------------------------------------------------------------------------------------------------
Fathead minnow 96h LC50 (mg/L) 565 Leadscope R2=0.75, Q2=0.73
SciQSAR R2=0.74, Q2=0.72 - Sublethal observations / clinical signs:
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
- Validity criteria fulfilled:
- yes
- Remarks:
- Inside model domain
- Conclusions:
- The short-term toxicity LC 50 (96h) of triethyl citrate on Pimephales promelas (fathead minnow) was estimated to be 471 mg/L.
- Executive summary:
The short-term toxicity LC 50 (96h) of triethyl citrate on Pimephales promelas (fathead minnow) was estimated to be 471 mg/L.
Referenceopen allclose all
Description of key information
LC 50 (Pimephales promelas, 96h, fw): 471 ÷ 8082 mg/L
Key value for chemical safety assessment
Fresh water fish
Fresh water fish
- Effect concentration:
- 471 mg/L
Additional information
The short-term toxicity LC 50 (96h, fw) of diethyl citrate technical on Pimephales promelas (fathead minnow) was estimated to be in range 471 ÷ 8082 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.
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