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Diss Factsheets
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EC number: 306-246-8 | CAS number: 96690-51-6
- 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
Adsorption / desorption
Administrative data
Link to relevant study record(s)
- Endpoint:
- adsorption / desorption: screening
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 02 May 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:
- According to annex VIII 9.3.1 of the REACH Regulation EC/2006/1907, “Adsorption/desorption screening” is standard information required for the registration of substances manufactured or imported in quantities of ten tonnes per year or more. REACH accepts and encourages the use of QSARs validated in accordance with the OECD Principles.The requirements for REACH can be considered as met as described in the reports ( attached below), and because full information is provided in the registration dossier. This includes a robust study summary and an endpoint summary included in the IUCLID dossier. As well as supported information from a QMR that describes the QSAR model, and a QPR that reports the predictions.
- Principles of method if other than guideline:
- The MCI methodology was selected to estimate the log Koc. QSAR estimation methodology based on the MCI methodology is described in a journal article (Meylan et al, 1992) and in a report prepared for the US EPA (SRC, 1991). The same methodology as described in (Meylan et al, 1992) was used to develop the QSAR equations utilizing Molecular Connectivity Index (MCI). Two separate regressions were performed in the MCI methodology. The first regression related log Koc of non-polar compounds (n = 69) to the first-order MCI. The second regression included the 447 compounds having correction factors; Correction factors are specific chemical classes or structural fragments. The regression coefficients were derived via multiple linear regression of the correction descriptors to the residual error of the prediction from the non-polar equation. See QPR and QMRF for more information.
- GLP compliance:
- no
- Remarks:
- Not required for a calculation based on QSAR methods
- Type of method:
- other: QSAR
- Media:
- soil
- Details on study design: HPLC method:
- Not required for a calculation based on QSAR methods
- Key result
- Type:
- log Koc
- Value:
- >= 2.576 - <= 11.304 dimensionless
- Temp.:
- 20 °C
- Remarks on result:
- other: Calculation based on QSAR
- Validity criteria fulfilled:
- yes
- Remarks:
- QSAR model validated to be compliant with the OECD recommendation for QSAR modelling (OECD, 2004) described within the QMRF.
- Conclusions:
- The predicted Log Koc of the representative constituents of the UVCB Soybean oil, epoxidized, methyl ester, reaction products with propylene glycol were determined to have a log Koc range of 2.58 to 11.30.
- Executive summary:
A QSAR approach, based on EpiSuite KOCWIN MCI methodology, was used to predict the log Koc range for adsorption /desorption exposed to the test item Nourypol. Two separate regressions were performed in the MCI methodology. The first regression related log Koc of non-polar compounds (n = 69) to the first-order MCI. The second regression included the 447 compounds with correction factors.The regression coefficients were derived via multiple linear regression of the correction descriptors to the residual error of the prediction from the non-polar equation. All criteria for the application of QSARs under REACH were met. The predictions for adsorption/desorption in soil was considered to be adequate and fit-for-purpose, except for the 4th constituent representative, for which the proposed Log Koc can only be considered as an indication of the behaviour of such a polymerised structure. The predicted Log Koc of the representative constituents of the UVCB Nourypol were determined to have a log Koc range of 2.58 to 11.30.
Reference
The predicted Log Kocvalues of the representative constituents of the UVCB “Soybean oil, epoxidized, methyl ester, reaction products with propylene glycol”
Constituent representative |
Log Koc |
Comment |
(representative of the unsaturated methyl ester fatty acids) |
4.6764 |
Within the applicability domain. Represents 10-20% of the UVCB. |
(representative of the unsaturated methyl ester fatty acids that are epoxidised) |
4.0479 |
Within the applicability domain. Represents 10-35% of the UVCB. |
(representative of the monomers) |
2.5757 |
Within the applicability domain. Represents 25-50% of the UVCB. |
(representative of the oligomers) |
11.3040 |
Out of the applicability domain. The value is only considered as “an indication”. Represents 10-55% of the UVCB. |
Description of key information
A QSAR approach, based on EpiSuite KOCWIN MCI methodology, was used to predict the log Koc range for adsorption /desorption exposed to the test item Soybean oil, epoxidized, methyl ester, reaction products with propylene glycol. Two separate regressions were performed in the MCI methodology. The first regression related log Koc of non-polar compounds (n = 69) to the first-order MCI. The second regression included the 447 compounds with correction factors.The regression coefficients were derived via multiple linear regression of the correction descriptors to the residual error of the prediction from the non-polar equation. All criteria for the application of QSARs under REACH were met. The predictions for adsorption/desorption in soil was considered to be adequate and fit-for-purpose, except for the 4th constituent representative, for which the proposed Log Koc can only be considered as an indication of the behaviour of such a polymerised structure. The predicted Log Koc of the representative constituents of the UVCB Soybean oil, epoxidized, methyl ester, reaction products with propylene glycol were determined to have a log Koc range of 2.58 to 11.30.
Key value for chemical safety assessment
Additional information
For Nourypol the range of predicted log Koc values is 2.58- 11.3. This indicates medium to significant potential for adsorption
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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