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EC number: - | 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
Endpoint summary
Administrative data
Key value for chemical safety assessment
Genetic toxicity in vitro
Description of key information
Ames test: Negative for Eth Oxanoate 369 Crude based on read across from Ethyl 2-methyl-3-pentenoate, which was tested in a study according to OECD TG 471
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Additional information
The executive summary of the in vitro genetic toxicty study (OECD TG 471) performed with the major constituent, Ethyl-2‐methylpent‐3‐enoate, is presented and thereafter the read across justification.
Ames test
The substance is tested in the Ames test according to OECD TG 471 and following GLP. The test was performed in two independent experiments, at first a direct plate assay was performed and secondly a pre-incubation assay. The following concentrations were tested: 52, 164, 512, 1600 and 5000 μg/plate in experiment 1; 5.4, 17, 52, 164, 512, 1600 and 5000 μg/plate (without S9-mix); 52, 164, 512, 1600 and 5000 μg/plate (with S9-mix) in experiment 2. In this study, acceptable responses were obtained for the negative and strain-specific positive control items indicating that the test conditions were adequate and that the metabolic activation system functioned properly. The test item did not induce a dose-related increase in the number of revertant colonies in each of the five tester strains (TA1535, TA1537, TA98 and TA100 WP2uvrA) both in the absence and presence of S9-metabolic activation. Based on this the substance is not mutagenic in this test.
Genotoxicity (Ames test) of Eth Oxanoate 369 Crude based on read-across from data available for Ethyl-2-methyl-3-pentenoate (CAS# 58625-89-1), its main constituent
Introduction and hypothesis for the analogue approach
The multi-constituent substance Eth Oxanoate 369 Crude consists of two main constituents: 62% Ethyl-2-methyl-3-pentenoate (CAS# 58625-89-1) and 32% Ethyl-2‐methylpentanoate (CAS# 39255-32-8). For Eth Oxanoate 369 Crude, no experimental genotoxicity data are available. In accordance with Article 13 of REACH, lacking information can be generated by means other than experimental testing, i.e. applying alternative methods such as, QSARs, grouping and read-across. For assessing the genotoxicity of Eth Oxanoate 369 Crude, the analogue approach is selected because for one of the constituents, Ethyl-2-methyl-3-pentenoate, reliable genotoxicity information is available which can be used for read-across.
Hypothesis: Eth Oxanoate 369 Crude has the same genotoxic potential as Ethyl-2-methyl-3-pentenoate based on similar chemical structure, physico-chemical properties and genotoxic reactivity.
Available information: For the major constituent (Ethyl-2‐methylpent‐3‐enoate), an Ames test according to OECD TG 471 with GLP has been performed. The test substance did not induce a dose-related increase in the number of revertant colonies in each of the five tester strains (Salmonella typhimurium TA1535, TA1537, TA98, TA100 and Escherichia coli WP2uvrA) both in the absence and presence of S9-metabolic activation.
Target chemical and source chemical
Chemical structures of the target chemical and the source chemical are shown in the data matrix, including physico-chemical properties.
Purity / Impurities
The major and minor constituents of Eth Oxanoate 369 Crude are presented in the Data matrix. The impurities of Eth Oxanoate 369 Crude are <10%.
Analogue approach justification
According to Annex XI 1.5, read-across can be used to replace testing when the similarity can be based on a common backbone and a common functional group. When using read-across the result derived should be applicable for C&L and/or risk assessment and it should be presented with adequate and reliable documentation, which is presented below.
Analogue selection: For Eth Oxanoate 369 Crude, the constituent Ethyl-2-methyl-3-pentenoate was selected as source chemical for read-across because it is the major constituent (62%) of Eth Oxanoate 369 Crude and experimental genotoxicity data is available.
Structural similarities and differences: The major constituent, Ethyl-2-methyl-3-pentenoate has a molecular weight of 142 g/mol and has a similar structure to the minor constituent (32%), Ethyl-2‐methylpentanoate, which has a molecular weight of 144 g/mol. The only difference in their structures is that Ethyl-2-methyl-3-pentenoate has a double bond on the carbon 3 of the pentene ester.
Toxico-kinetic: The bioavailability of the constituents of Eth Oxanoate 369 Crude and Ethyl-2-methyl-3-pentenoate are very similar based on similarities in chemical structures, water solubility and log Kow.
Genotoxic reactivity: The reactivity of Eth Oxanoate 369 Crude is similar to its major constituent, Ethyl-2-methyl-3-pentenoate. The unsaturation in its alkyl chian is not considered more reactive compared to the saturated chain of the minor constituent because the unsaturated bond is not conjugated .
Remaining uncertainties: There are no uncertainties other than those already addressed in the previous sections. The available in vitro Ames (OECD TG 471) performed with the minor constituent (32%), Ethyl-2‐methylpentanoate was also negative for the Ames test (ECHA disseminated dossier: (https://echa.europa.eu/nl/registration-dossier/-/registered-dossier/10528) further supports the read across.
Data matrix The relevant information on physico-chemical properties and toxicological characteristics are presented in the data matrix below.
Conclusions on genotoxicity for hazard and risk assessment
For Eth Oxanoate 369 Crude no Ames test (OECD TG 471) is available. Read-across from its main constituent, Ethyl-2-methyl-3-pentenoate, is used to fill this data gap. When using read-across, the result derived should be applicable for C&L and/or risk assessment, and be presented with adequate and reliable documentation. This documentation is presented in the current text. The Ames test (OECD TG 471) for Ethyl-2-methyl-3-pentenoate showed no genotoxic potential. Based on this information, it is concluded that Eth Oxanoate 369 is negative for the Ames test.
Final conclusion: Eth Oxanoate 369 Crude is not genotoxic.
Data matrix to support the read-across to Eth Oxanoate 369 Crude from Ethyl-2-methyl-3-pentenoate for genotoxicity
Endpoint | Eth Oxanoate 369 Crude | Ethyl-2-methyl-3-pentenoate | Ethyl-2‐methylpentanoate |
| Target | Major constituent Source | Minor constituent
|
Chemical structure | |||
CAS number | Not applicable | 58625-89-1 | 39255-32-8 |
EC number | 952-991-2 | 854-058-4 | 254-384-1 |
Typical conc. (%) | Not applicable | 62 | 32 |
REACH registered | - | Registered | Registered |
Empirical formula | Not applicable | C8H14O2 | C8H16O2 |
Molecular weight | 142 - 144 | 142 | 144 |
Phys-chem |
|
|
|
Log Kow | 3.0 (measured: main constituent)* | 2.54 (EPISUITE) 3.1 (measured)* | 2.76 (EPISUITE) 2.09 (ECHA dissemination site) |
Water Solubility (mg/L) | 612.3 (measured: main constituent), | 612.3 (measured) | 467 (ECHA dissemination site) |
Human health endpoints |
|
|
|
Ames (Gene mutations in bacterial cells) | Read across from main constituent | Negative (OECD 471) | Negative (ECHA dissemination site), |
* the same substance is measured with a log Kow difference of 0.1
Justification for classification or non-classification
Based on the results of the Ames test, the substance does not have to be classified for genotoxicity according to EU CLP (EC 1272/2008 and its amendments).
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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