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EC number: 945-734-0 | 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
Oenanthic ether is negative for genemutations in bacteria based on read across from Zenoldie, which was tested in an Ames test (OECD TG 471)
Link to relevant study records
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Read-across information.
- Justification for type of information:
- See endpoint summary
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Species / strain:
- S. typhimurium TA 1535
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 1537
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 1538
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 100
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 98
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Key result
- Species / strain:
- E. coli WP2 uvr A
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Conclusions:
- The substance is not mutagenic in the Salmonella typhimurium and Escherichia coli reverse mutation assay, based on the results of the source substance.
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 1997
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- The information is reliable and adequate for covering the endpoint.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 472 (Genetic Toxicology: Escherichia coli, Reverse Mutation Assay)
- GLP compliance:
- yes (incl. QA statement)
- Type of assay:
- bacterial reverse mutation assay
- Target gene:
- S. typhimurium TA1535 hisG46 rfa uvrB; S. typhimurium TA1537 hisC3076 rfa uvrB; S. typhimurium TA 1538 hisD3052 rfa uvrB; S. typhimurium TA98 hisD3052 rfa uvrB pKMl01; S. typhimurium TA100 hisG46 rfa uvrB pKM101; E. coli WP2 uvrA trp
- Species / strain / cell type:
- S. typhimurium, other: TA 1535, TA 1537, TA 1538, TA 98 and TA 100
- Additional strain / cell type characteristics:
- not applicable
- Species / strain / cell type:
- E. coli WP2 uvr A
- Additional strain / cell type characteristics:
- not applicable
- Metabolic activation:
- with and without
- Metabolic activation system:
- Aroclor 1254-induced rats (S9 mix)
- Test concentrations with justification for top dose:
- Exp 1: with and without S9-mix, 10 dose levels between 9.8 and 5000 µg/plate
Exp 2 with and without S9-mix
for TA1535, TA1537 and WP2 uvrA: 6 dose levels between 39.1 and 12500 µg/plate
for TA1538, TA98 and TA100: 8 dose levels between 39.1 and 12500 µg/plate - Vehicle / solvent:
- dimethyl sulphoxide (DMSO)
- Untreated negative controls:
- yes
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- N-ethyl-N-nitro-N-nitrosoguanidine
- Remarks:
- and 9-Aminoacridine, 2-Nitrofluorene and 2-Aminoanthracene
- Details on test system and experimental conditions:
- An aliquot of 0.1 ml of a 10 hour bacterial culture and 0.5 ml S9 mix or 0.5 ml 0.1 M phosphate buffer (pH 7.4) were placed in glass bottles. An aliquot of 100 µl of the test solution was added, followed immediately by 2 ml of histidine/tryptophan deficient agar. The mixture was thoroughly shaken and overlaid onto previously prepared petri dishes containing 25 ml minimal agar. Each petri dish was individually labelled with a unique code corresponding to a sheet, identifying the dish's contents. Plates were also prepared without the addition of bacteria in order to assess the sterility of the test substance, 59 mix and phosphate buffer. All plates were incubated at 37°C for 3 days. After this period the appearance of the background bacterial lawn was examined and revertant colonies counted using a Seescan Automatic Colony Counter.
- Evaluation criteria:
- Please see below.
- Statistics:
- no
- Key result
- Species / strain:
- S. typhimurium TA 1535
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 1537
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 1538
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 98
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 100
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Key result
- Species / strain:
- E. coli WP2 uvr A
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Additional information on results:
- Toxicity was observed towards all the strains at the top three dose levels, down to 625 µg/plate for TA1538 and down to 312.5 µg/plate for TA98 and TA100. In the second mutation test toxicity was observed towards all the strains at the top dose level and down to 312.5 µg/plate for TA1538, TA98 and TA100.
No substantial increases in revertant colony numbers of any of the tester strains were observed following treatment at any dose level, in the presence or absence of S9 mix, in either mutation test. - Conclusions:
- It is concluded that the results obtained with the test substance in Salmonella typhimurium strains TA 1535, TA 1537, TA 1538, TA 98 and TA 100, and in the Escherichia coli strain WP2 uvrA, in the absence and presence of the S9-mix, indicate that the test substance is not mutagenic under the conditions of this test.
- Executive summary:
In a study, performed in accordance with GLP and OECD guideline 471 and 472, the test substance was examined for its possible mutagenic activity in the bacterial reverse mutation test using the Salmonella typhimurium strains TA 1535, TA 1537, TA 1538, TA 98, TA 100 and the Escherichia coli strain WP2uvrA, in the absence and presence of a liver fraction of Aroclor 1254-induced rats for metabolic activation (S9-mix).The test substance was diluted in dimethylsulphoxide (DMSO). Two independent mutation tests were performed. A top dose level of 5000 µg/plate, based on a preliminary test, was chosen for the first mutation study. Other dose levels used were a series of 2-fold dilutions of the highest concentration. A total of ten dose levels were used in the first test to ensure that sufficient non-toxic concentrations were assessed. Toxicity was observed towards all the strains at the top three dose levels, down to 625 µg/plate for TA1538 and down to 312.5 µg/plate for TA98 and TA100. For the second mutation test a top dose level of 12500 µg/plate was chosen and the bottom two dose levels not included for TA1535, TA1537 and WP2 uvrA. Toxicity was observed towards all the strains at the top dose level and down to 312.5 µg/plate for TA1538, TA98 and TA100. No evidence of mutagenic activity was seen at any dose level in either mutation test. The concurrent positive control compounds demonstrated the sensitivity of the assay and the metabolising activity of the liver preparations. It is concluded that the test substance shows no evidence of mutagenic activity in this bacterial system.
Referenceopen allclose all
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Additional information
Genetic toxicity is assessed based on read-across from Zenolide to Oenanthic ether. The executive summary of the source information on the substance is presented below, followed by the read-across rationale.
Zenolide Ames test information
In a study, performed in accordance with GLP and OECD guideline 471 and 472, the test substance was examined for its possible mutagenic activity in the bacterial reverse mutation test using the Salmonella typhimurium strains TA 1535, TA 1537, TA 1538, TA 98, TA 100 and the Escherichia coli strain WP2uvrA, in the absence and presence of a liver fraction of Aroclor 1254-induced rats for metabolic activation (S9-mix).The test substance was diluted in dimethylsulphoxide (DMSO). Two independent mutation tests were performed. A top dose level of 5000 µg/plate, based on a preliminary test, was chosen for the first mutation study. Other dose levels used were a series of 2-fold dilutions of the highest concentration. A total of ten dose levels were used in the first test to ensure that sufficient non-toxic concentrations were assessed. Toxicity was observed towards all the strains at the top three dose levels, down to 625 µg/plate for TA1538 and down to 312.5 µg/plate for TA98 and TA100. For the second mutation test a top dose level of 12500 µg/plate was chosen and the bottom two dose levels not included for TA1535, TA1537 and WP2 uvrA. Toxicity was observed towards all the strains at the top dose level and down to 312.5 µg/plate for TA1538, TA98 and TA100. No evidence of mutagenic activity was seen at any dose level in either mutation test. The concurrent positive control compounds demonstrated the sensitivity of the assay and the metabolising activity of the liver preparations. It is concluded that the test substance shows no evidence of mutagenic activity in this bacterial system.
The endpoint mutagenic properties in bacteria of Oenanthic ether using read across from Zenolide (CAS 54982-83-1)
Introduction and hypothesis for the read across
Oenanthic ether consists of 3 main constituents and a number of impurities. All are ethyl esters, despite the name ether, of long chain carboxylic acids. The major constituent has a C12 chain, the two minor ones have C14 and C16 saturated carbon chain. For the target substanceOenanthic ethergene mutation data in bacteria (Ames) are not available.In accordance with Article 13 of REACH, lacking information can be generated by other means, i.e. applying alternative methods such as QSARs, grouping and read-across. For assessing the mutagenicity properties of Oenanthic ether, the analogue approach is selected because for the closely related analogue Zenolide Ames information is available which can be used to read across.
Hypothesis: Oenanthic etheris negative in the Ames test based on the negative results of the analogue Zenolide in the Ames test.
Available information:In an Ames study (OECD guideline 471, Rel. 1), Zenolide was examined for its possible mutagenic activity in the bacterial reverse mutation test using the Salmonella typhimurium strains TA 1535, TA 1537, TA 1538, TA 98, TA 100 and the Escherichia coli strain WP2uvrA, in the absence and presence of metabolic activation (S9-mix). Two independent mutation tests were performed, Zenolide was tested up to and including cytotoxic levels. No evidence of mutagenic activity was seen at any dose level in either mutation test and Zenolide was considered negative for mutagenicity.
Target and Source chemical:
Chemical structures of the target chemical and the source chemical(s) are shown in the data matrix, including physico-chemical properties and available toxicologicalinformation. Furthermore, a full list of constituents of Oenanthic ether, including information relevant for read-across, is given in the data matrix.
Purity / Impurities:
The purity and unidentified impurities of the target chemical and source chemical are not expected to influence the potential for bacterial mutagenicity.
Analogue 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. The reasoning below fulfils this documentation.
Analogue selection: For Oenanthic etherZenolide was considered an appropriate analogue because Zenolide has a similar fatty acid type of acetic ester as Oenanthic ether and for Zenolide skin Ames test information is available.
Structural similarities and differences:All constituents of Oenanthic ether and Zenolide contain ethyl esters and a long alkane chain (C8-C1 and C12, respectively) and therefore have a similar backbone and functional group: i.e. esters of long chain carboxylic acids. The difference is that all constituents of Oenanthic ether have linear alkyl chains, whereas Zenolide has a cyclic aliphatic alkyl chain, connected by Ethylene glycol. Zenolide has therefore a double ester which is expected to be more electrophilic.
Toxico-kinetic, absorption: Oenanthic ether and Zenolide have chemical indicate similar absorption because of similar molecular weights and log KowsMetabolism: Fatty acid ethyl esters will be hydrolysed/metabolised by carboxyl esterases abundantly available throughout the body (Toxicological handbooks).
Toxico-dynamics: The reactive site of Oenanthic Ether and Zenolide is the ester bond which has only a non-branched alkyl group in its vicinity and therefore is expected to react very similar. Zenolide has a double ester in each other’s vicinity and may therefore be slightly more reactive and more ‘conservative’ as is also indicated in the OECD Toolbox (4.2) where there is a highlight for Hacceptor-path3-Hacceptor. This is not applicable for Zenolide, because also Ethylene glycol is active for this alert in the Toolbox and the latter is negative for genotoxicity.
Uncertainty of the prediction:There are no remaining uncertainties other than already discussed above.
Data matrix
The relevant information on physico-chemical properties and toxicological characteristics are presented in the data matrix below.
Conclusions per endpoint for hazard in the risk assessment
For Oenanthic ether no Ames information is available. From the analogue Zenolide such information is available and this can be used for read across. 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 latter documentation is presented here in the current document. For Zenolide a well conducted negative Ames test according to OECDTG 471, Rel. 1, is available. Therefore also Oenanthic ether will be negative in the Ames test.
Final conclusion for hazard and risk assessment: Oenanthic ether is negative in the Ames test.
Data matrix to support the read across to Oenanthic ether from Zenolide for mutagenicity (Ames)
Chemical names for
Oenanthic ether# |
ethyl octanoate (C8*) |
ethyl decanoate (C10*) |
ethyl dodecanoate (C12*) |
ethyl tetra-decanoate (C14*) |
ethyl hexa-decanoate (C16*) |
ethyl octa-decanoate (C18*) |
ethyl (9Z)-octadec-9-enoate (C18*) |
ethyl (9Z,12Z)‐ octa-deca‐,12‐di enoate (C18*) |
Zenolide (‘C12’) |
Target |
|
|
|
|
|
|
|
|
Source |
CAS# |
106-32-1 |
110-38-3 |
106-33-2 |
124-06-1 |
628-97-7 |
111-61-5 |
544-35-4 |
111-62-6 |
5982-83-1 |
Structure |
|||||||||
% in product |
<10 |
<10 |
35-55 |
15-30 |
5-15 |
<10 |
<10 |
<10 |
|
EC No. 945-734-0# |
|
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|
|
|
|
259-423-6 |
Registration 2018 |
EpiSuite |
EpiSuite |
EpiSuite |
EpiSuite |
EpiSuite |
EpiSuite |
EpiSuite |
EpiSuite |
Registered |
Vp (Pa) 0.12 meas)# |
31.4 (est.) |
5.70 (est.) |
1.17 (est.) |
0.34 (est.) |
0.036 (est.) |
0.0084 (est.) |
0.0081 (est.) |
0.0067 (est.) |
0.028 (exp.) |
WS (mg/L) 1.6 meas)# |
45.6 (est.) |
4.8 (est.) |
0.41 (est.) |
0.037 (est.) |
0.0037 (est.) |
0.0004 (est.) |
0.0006 (est.) |
0.0009 (est.) |
75 (exp.) |
Log Kow 4.6 meas)# |
3.8 (est.) |
4.8 (est.) |
5.8 (est.) |
6.8 (est.) |
7.7 (est.) |
8.4 (est.) |
8.5 (est.) |
8.3 (est.) |
3.65 (exp.) |
Human health |
|
|
|
|
|
|
|
|
|
Mutagenicity (Ames) |
Negative (Read across) |
Negative (Read across) |
Negative (Read across) |
Negative (Read across) |
Negative (Read across) |
Negative (Read across) |
Negative (Read across) |
Negative (Read across) |
Negative (OECD TG 471) |
*The C’s are related to the chain length not the overall number of Cs (as would be presented in the Empirical formula); (est.) = estimated using EpiSuite; (exp.) = experimental;#In this column the values are for Oenanthic ether as such.
Justification for classification or non-classification
Based on the results, the substance does not need to be classified for genetic toxicity according to EU CLP (EC No. 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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