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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
Long-term toxicity to aquatic invertebrates
Administrative data
- Endpoint:
- long-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- January 18, 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Justification for type of information:
- This SAR may be used to estimate toxicity for the following esters:
1. Acetates
2. Benzoates
3. Dicarboxylic aliphatics
4. Phthalates derived from aliphatic alcohols and phenol.
Data source
Referenceopen allclose all
- Reference Type:
- other: software
- Title:
- Unnamed
- Year:
- 2 012
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test 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:
- SARs have been used by the U.S. Environmental Protection Agency since 1981 to predict the aquatic toxicity of new industrial chemicals in the absence of test data. The acute toxicity of a chemical to fish (both fresh and saltwater), water fleas (daphnids), and green algae has been the focus of the development of SARs, although for some chemical classes SARs are available for other effects (e.g, chronic toxicity and bioconcentration factor) and terrestrial organisms (e.g., earthworms). SARs are developed for chemical classes based on measured test data that have been submitted by industry or they are developed by other sources for chemicals with similar structures, e.g., phenols. Using the measured aquatic toxicity values and estimated Kow values, regression equations can be developed for a class of chemicals. Toxicity values for new chemicals may then be calculated by inserting the estimated Kow into the regression equation and correcting the resultant value for the molecular weight of the compound.
The structure-activity relationships (SARs) presented in ECOSAR are used to predict the aquatic toxicity of chemicals based on their similarity of structure to chemicals for which the aquatic toxicity has been previously measured. Most SAR calculations in the ECOSAR Class Program are based upon the octanol/water partition coefficient (Kow). Various surfactant SAR calculations are based upon the average length of carbon chains or the number of ethoxylate units.
Test material
- Reference substance name:
- 5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid
- Cas Number:
- 19958-02-2
- Molecular formula:
- C10H16O7
- IUPAC Name:
- 5-ethoxy-3-ethoxycarbonyl-3-hydroxy-5-oxopentanoic acid
Constituent 1
Test organisms
- Test organisms (species):
- other: not specified
- Details on test organisms:
- Phylum: Arthropoda (arthropods)
Class: Branchiopoda (branchiopods)
Study design
- Water media type:
- freshwater
Results and discussion
Effect concentrations
- Dose descriptor:
- NOEC
- Effect conc.:
- 23 387 mg/L
- Nominal / measured:
- estimated
- Conc. based on:
- test mat.
- Basis for effect:
- mortality
- Remarks on result:
- other: duration not determined
Any other information on results incl. tables
ECOSAR Version 1.11 Results Page
SMILES : CCOC(=O)CC(CC(=O)O)(C(=O)OCC)O
CHEM : 1,2-DEC
MOL FOR: C10 H16 O7
MOL WT : 248.23
Log Kow: -0.444 (EPISuite Kowwin v1.68 Estimate)
Wat Sol: 4.65E+005 (mg/L, EPISuite WSKowwin v1.43 Estimate)
-------------------------------------
Values used to Generate ECOSAR Profile
--------------------------------------
Log Kow: -0.444 (EPISuite Kowwin v1.68 Estimate)
Wat Sol: 4.65E+005 (mg/L, EPISuite WSKowwin v1.43 Estimate)
--------------------------------------
ECOSAR v1.11 Class-specific Estimations
--------------------------------------
Esters-acids
--> Acid moeity found: Predicted values multiplied by 10
ECOSAR Class |
Organism |
Duration |
End Pt |
Predicted (mg/L) |
NOEC (mg/L) |
Esters-acids |
Fish |
32/33-d |
ChV= MATC |
1114.587 |
788 |
Esters-acids |
Daphnid |
21-day |
ChV= MATC |
33073.688 |
23387 |
Esters-acids |
Green Algae |
|
ChV= MATC |
1740.880 |
1231 |
------------------------------
Class Specific LogKow Cut-Offs
------------------------------
If the log Kow of the chemical is greater than the endpoint specific cut-offs presented below, then no effects at saturation are expected for those endpoints.
Esters:
------
Maximum LogKow: 5.0 (Fish 96-hr LC50; Daphnid LC50, Mysid LC50)
Maximum LogKow: 6.0 (Earthworm LC50)
Maximum LogKow: 6.4 (Green Algae EC50)
Maximum LogKow: 8.0 (ChV)
Chronic Value (ChV) definition:
------------------------------
The ChV, or Chronic Value, is defined as the geometric mean of the no observed effect concentration (NOEC) and the lowest observed effect concentration (LOEC). One way to represent the ChV value mathematically is:
ChV = 10^([log (LOEC x NOEC)]/2)
According to the ECHA “Guidance on information requirements and chemical safety assessment” Chapter R.10, the MATC (Maximal Acceptable Toxicant Concentration) is defined as equivalent to the above ChV.
If in the test report only the MATC is presented, the MATC can be divided by √2 to derive a NOEC.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The ECOSAR model is a reliable and appropriate QSAR model to apply to 1,2-diethyl citrate, as it is based on a chemical dataset that calculates the toxicity of esters, which exhibit excess toxicity in addition to narcosis.
The predicted long-term (21-d) toxicity NOEC for daphnid is 23387 mg/L. - Executive summary:
The predicted long-term (21-d) toxicity NOEC for daphnid is 23387 mg/L.
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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