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Diss Factsheets
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EC number: 208-013-5 | CAS number: 505-54-4
- 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 fish
Administrative data
Link to relevant study record(s)
- Endpoint:
- long-term toxicity to fish, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 17/01/2019
- 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:
- EPISuite
2. MODEL (incl. version number)
ECOSAR v1.11
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
C(CCCCCCCCCCCCCCC(O)=O)(O)=O
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
QSAR software recommended by ECHA, according to ECHA’s Guidance Chapter R6 (“QSARs and grouping of chemicals”) and Chapter R10 (“Characterisation of dose [concentration] - response for environment”).
ECOSAR uses a number of class-specific log Kow-based QSARs in order to predict the toxicity of chemicals to aquatic organisms (fish, daphnids, green algae). The QSARs are developed for chemical classes based on measured test data that have been submitted by industry to the US Environmental Protection Agency (US-EPA). ECOSAR produces warnings in several occasions (e.g. when the water solubility is very low, or when the prediction is outside the range of log Kow in the training set). The software is freely available from the US-EPA
5. APPLICABILITY DOMAIN
Not detailed by the software but no alert on the fact that the substance does not fall into the applicability domain of the model.
Moreover, the modelization is not hindered by the limitations of the model, which are:
“If the log Kow value is greater than 8.0, or if the compound is solid and the ChV exceeds the water solubility by 10X, no effects at saturation are predicted.”
6. ECOSAR CHEMICAL CLASS: Neutral Organics-acid
As the substance doesn’t match with any ECOSAR class, the estimates were predicted using a simple non-polar narcosis model representing the baseline toxicity potential (neutral organics QSAR equations). However, the model from ECOSAR gives conservative predictions.
7. ADEQUACY OF THE RESULT
The prediction is adequate as the QSAR model is scientifically valid and relevant for the regulatory purpose. - Qualifier:
- according to guideline
- Guideline:
- other: ECHA Guidance chap R6 "QSAR and grouping of chemicals"
- GLP compliance:
- no
- Key result
- Dose descriptor:
- other: chronic value (geometric mean of LOEC and NOEC)
- Effect conc.:
- 1.23 mg/L
- Remarks on result:
- ChV (chronic value, QSAR)
- Details on results:
- As the substance doesn’t match with any ECOSAR class, the estimates were predicted using a simple non-polar narcosis model representing the baseline toxicity potential (neutral organics QSAR equations). Nevertheless, the acute toxicity on fish predicted by ECOSAR for hexadecanedioic acid is widely higher than acute toxicity data from experimental studies (derived from the read across category approach). Therefore, it can be considered that the model from ECOSAR gives conservative predictions for for hexadecanedioic acid. Therefore, even if the substance does not belong to any ECOSAR class, the predictions can be used as a supportive information to conclude on this endpoint.
- Conclusions:
- As the substance doesn’t match with any ECOSAR class, the estimates were predicted using a simple non-polar narcosis model representing the baseline toxicity potential (neutral organics QSAR equations). Nevertheless, the acute toxicity on fish predicted by ECOSAR for hexadecanedioic acid is widely higher than acute toxicity data from experimental studies (derived from the read across category approach). Therefore, it can be considered that the model from ECOSAR gives conservative predictions for hexadecanedioic acid. Therefore, even if the substance does not belong to any ECOSAR class, the predictions can be used as a supportive information to conclude on this endpoint.
As the chronic value (geometric mean of LOEC and NOEC) on fish given by ECOSAR is higher than 1 mg/L and as hexadecanedioic acid is readily biodegradable, hexadecanedioic acid is not expected to have a long-term toxicity on fish. - Endpoint:
- long-term toxicity to fish, other
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- other:
- Endpoint:
- long-term toxicity to fish, other
- Type of information:
- read-across based on grouping of substances (category approach)
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Justification for type of information:
- 1. HYPOTHESIS FOR THE CATEGORY APPROACH (ENDPOINT LEVEL)
Dicarboxylic acids are organic compounds that contain two carboxylic acid functional groups. They have the general type formula HOOC-(CH2)n-COOH. The present defined category comprises dicarboxylic acids with straight carbon chain having a “n” value from 6 to 16.
The physical and chemical properties as well as the toxicology and environmental fate and effects show that substances in this category have a similar order of toxicological and environmental fate properties, which supports the grouping of these substances as a category. (see attached justification)
2. CATEGORY APPROACH JUSTIFICATION (ENDPOINT LEVEL)
There are number of unifying considerations justifying the similarity between these substances in some important aspects. These include:
(1) Similarity of Use: these dicarboxylic acids have several industrial uses in the production of adhesives, plasticizers, lubricants, copolymers (such as polyamides and polyesters), etc.
(2) Similarity of Functional groups: all these substances contain two common functional groups (2 carboxyl groups). The only difference between the substances of this group lies in the length of the carbon chain.
(3) Similarity of Physical / Chemical properties: the similarity of physical / chemical properties for these substances (see attached justification)
(4) Similarity of Metabolism: Dicarboxylic acids were shown to be rapidly absorbed from the gastrointestinal tract, introduced into the fatty acid catabolism and therefore extensively metabolized by the organism and excreted (Passi, S. et al, 1983).
(5) Similarity of Mammalian Toxicity: The constituents of this class have similar toxicological properties. They are not acutely toxic, irritating to skin or sensitizing. However, they all present, except for dodecanedioic acid, irritating effects on the eyes (from moderate to high effects). They do not produce systemic effects in repeated dose studies. They are neither mutagenic nor carcinogenic and do not produce developmental/reproductive toxicity. (see attached justification)
(6) Similarity of Environmental Toxicity and Fate Properties: The substances in this category have similar environmental effects properties. The environmental effects data are similar for most category members in that most members do not exhibit acute toxicity. (see attached justification) - Reason / purpose for cross-reference:
- read-across: supporting information
- Reason / purpose for cross-reference:
- read-across: supporting information
- Key result
- Remarks on result:
- other: Based on the aquatic acute toxicity values of dicarboxylic analogues (LC50 > 100 mg/L) and the fact that the analogues are readily biodegradable, no aquatic chronic toxicity is expected for diacrboxylic acids.
- Conclusions:
- Based on the experimental acute toxicity studies on fish performed on dicarboxylic acids analogues (DC10 and DC12) and the read across category approach, hexadecanedioic acid is not expected to have a long-term toxicity on fish. Therefore, the substance is not expected to be classified for chronic aquatic toxicity.
Referenceopen allclose all
Description of key information
A study of the long term toxicity on fish of hexadecanedioic acid does not need to be performed according to Column 2 of Annex IX of REACH Regulation 1907/2006, since the chemical safety assessment does not indicate a risk for aquatic organisms.
Indeed, a QSAR prediction using ECOSAR model was done on hexadecanedioic acid and showed that the chronic value for fish was 1.23 mg/L (prediction for neutral organics-acid class). This estimate being very conservative and the substance being readily biodegradable, hexadecanedioic acid is not expected to have long term effects on fish. Hexadecanedioic acid is not expected to be classified for aquatic chronic toxicity.
Besides, the aquatic acute toxicity on fish of other dicarboxylic acids (DC10, DC12) show LC50 > 100 mg/L. Considering these data and the ready biodegradability of dicarboxylic acids, no classification for aquatic chronic toxicity is expected. Thus, based on the read across category approach on dicarboxylic acids, hexadecanedioic acid is not expected to be toxic for the aquatic species on the long term. Hexadecanedioic acid is therefore not classified for aquatic chronic toxicity.
Key value for chemical safety assessment
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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