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EC number: 283-740-9 | CAS number: 84712-50-5
- 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
Bacterial mutagenicity (Ames test): negative, with and without metabolic activation in Salmonella typhimurium strains TA 98, TA 100, TA 1535 and TA 1537 (OECD TG 471) (Huntingdon, 1989).
Bacterial mutagenicity (Ames test): negative,with and without metabolic activation in E. coli WPuvrA (OECD TG 471) (Envigo, 2016).
Link to relevant study records
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 13 July 2016 to 25 July 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Remarks:
- Only single strain was tested
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Version / remarks:
- 1997
- Deviations:
- yes
- Remarks:
- Only single strain was tested to fulfil the criteria for Bacterial mutagenicity
- Qualifier:
- according to guideline
- Guideline:
- EU Method B.13/14 (Mutagenicity - Reverse Mutation Test Using Bacteria)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 870.5100 - Bacterial Reverse Mutation Test (August 1998)
- GLP compliance:
- yes (incl. QA statement)
- Type of assay:
- bacterial reverse mutation assay
- Specific details on test material used for the study:
- STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: At room temperature in the dark
- Stability under test conditions: Not specified, assumed to be stable
- Solubility and stability of the test substance in the solvent/vehicle: The test material showed to be fully miscible in acetone at 100 mg/ml during solubility checks.
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium:
TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: The test item was accurately weighed and approximate half-log dilutions were prepared in acetone.
- Preliminary purification step (if any): No correction was made for purity.
- Final dilution of a dissolved solid, stock liquid or gel: Acetone was toxic to the bacterial cells at 0.1 ml after employing the pre-incubation modification. Therefore, all of the formulations for Experiment 2 were prepared at concentrations two times greater than required on Vogel-Bonner agar plates. Analysis for concentration, homogeneity and stability of the test item formulations was not performed. - Target gene:
- histidine locus
- Species / strain / cell type:
- E. coli WP2 uvr A
- Metabolic activation:
- with and without
- Metabolic activation system:
- The S9 microsomal fraction was pre-pared using standardized in-house procedures
- Test concentrations with justification for top dose:
- Experiment 1: 1.5, 5, 15, 50, 150, 500, 1500 and 5000 µg/plate
Experiment 2: 15, 50, 150, 500, 1500 and 5000 µg/plate
5000 µg/plate was the maximum recommended dose level. - Vehicle / solvent:
- - Vehicle(s)/solvent(s) used: acetone
- Justification for choice of solvent/vehicle: The test item was immiscible in sterile distilled water and dimethyl sulphoxide at 50 mg/ml, but was fully miscible in acetone at 100 mg/ml during solubility tests. Therefore, acetone was selected as the vehicle. - Untreated negative controls:
- yes
- Remarks:
- untreated
- Negative solvent / vehicle controls:
- yes
- Remarks:
- acetone
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- N-ethyl-N-nitro-N-nitrosoguanidine
- Remarks:
- WP2uvrA, without metabolic activation
- Untreated negative controls:
- yes
- Remarks:
- untreated
- Negative solvent / vehicle controls:
- yes
- Remarks:
- acetone
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- other: 2-Aminoantracene
- Remarks:
- WP2uvrA, with metabolic activation
- Details on test system and experimental conditions:
- METHOD OF APPLICATION: in agar (plate incorporation) Experiment 1, preincubation method was used for Experiment 2
- Cell density at seeding (if applicable): an overnight sub-culture of the coded stock culture was prepared in nutrient broth and incubated at 37°C for approximately 10 hours.
ACTIVATION: The S9-mix was prepared before use using sterilized co-factors and maintained on ice for the duration of test. The S9-mix contained 5.0 ml S9, 1.0 ml of 1.65 M KCl/ 0.4 M MgCl2, 2.5 ml of 0.1 M glucose-6-phosphate, 2.0 ml of 0.1 M NADP, 25.0 ml of 0.2 M sodium phosphate buffer (pH 7.4), 14.5 ml of sterile distilled water.
DURATION
- Plate incorporation: Experiment 1
- Preincubation period: Experiment 2
- Exposure duration: Experiment 1, 48 hours at 37°C, with and without metabolic activation; Experiment 2, 20 min at 37°C, with and without metabolic activation
- Expression time (cells in growth medium): Experiment 2, 8 hours at 37°C, with and without metabolic activation
NUMBER OF REPLICATIONS: triplicate cultures
DETERMINATION OF CYTOTOXICITY
- Method: number of revertant colonies (cloning efficiency)
OTHER EXAMINATIONS:
- Precipitation - Rationale for test conditions:
- Acetone was toxic to the bacterial cells at 0.1 ml after employing the pre-incubation modification. Therefore, all of the formulations for Experiment 2 were prepared at concentrations two times greater than required on Vogel-Bonner agar plates. Analysis for concentration, homogeneity and stability of the test item formulations was not performed. 5000 µg/plate was the maximum recommended dose level.
- Evaluation criteria:
- The result was considered positive when one or all of the following was observed:
- A dose-related increase in mutant frequency over the dose range tested;
- A reproducible increase at one or more concentrations;
- Biological relevance against in-house historical control data;
- Statistical analysis of data as determined by UKEMS;
- Fold increase greater than two times the concurrent solvent control for the tester strain. - Statistics:
- Dunnetts Regression Analysis (* = p < 0.05) was used to confirm statistical significance for those values that indicate statistically significant increases in the frequency of revertant colonies compared to the concurrent solvent control.
- Key result
- Species / strain:
- E. coli WP2 uvr A
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity, but tested up to precipitating concentrations
- Remarks:
- 5000 µg/plate
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- valid
- Positive controls validity:
- valid
- Additional information on results:
- TEST-SPECIFIC CONFOUNDING FACTORS
- Precipitation: Precipitation was observed at 5000 µg/plate
RANGE-FINDING/SCREENING STUDIES: No data
HISTORICAL CONTROL DATA
- Positive historical control data: within the ranges of historical control data
- Negative (solvent/vehicle) historical control data: within the ranges of historical control data - Conclusions:
- Acetic acid, C11-14-isoalkyl esters, C13-rich has been tested in a valid bacterial reverse mutation assay, according to the OECD TG 471 with acceptable restrictions, and under GLP, using E. coli WPuvrA. No increase in the number of revertants was observed in the test strain, with or without metabolic activation. Appropriate positive and solvent controls were included and gave expected results. It is concluded that the test substance is negative for mutagenicity to bacteria under the conditions of the test.
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Study period:
- 6 June 1989 to 19 June 1989
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Remarks:
- The restriction is that no fifth strain to detect cross-linking mutagens was used in the study.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Version / remarks:
- no data
- GLP compliance:
- yes (incl. QA statement)
- Type of assay:
- bacterial reverse mutation assay
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Expiration date of the lot/batch: April 1990
- Purity test date: no data
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: at 4°C in the dark
- Stability under test conditions:
- Solubility and stability of the test substance in the solvent/vehicle: soluble in ethanol
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium:
TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing:
- Preliminary purification step (if any):
- Final dilution of a dissolved solid, stock liquid or gel:
- Final preparation of a solid:
FORM AS APPLIED IN THE TEST (if different from that of starting material)
OTHER SPECIFICS: - Target gene:
- histidine locus
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98 and TA 100
- Metabolic activation:
- with and without
- Metabolic activation system:
- Arochlor 1254- -induced rat liver metabolic activation
- Test concentrations with justification for top dose:
- Dose range finding test: 5, 50, 500 and 5000 µg/plate
Main test: 50, 150, 500, 1500 and 5000 µg/plate - Vehicle / solvent:
- - Vehicle(s)/solvent(s) used: ethanol
- Justification for choice of solvent/vehicle: no data - Untreated negative controls:
- yes
- Remarks:
- untreated
- Negative solvent / vehicle controls:
- yes
- Remarks:
- ethanol
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- 9-aminoacridine
- Remarks:
- TA1537, without metabolic activation
- Untreated negative controls:
- yes
- Remarks:
- untreated
- Negative solvent / vehicle controls:
- yes
- Remarks:
- ethanol
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- N-ethyl-N-nitro-N-nitrosoguanidine
- Remarks:
- TA100; TA1535, without metabolic activation
- Untreated negative controls:
- yes
- Remarks:
- untreated
- Negative solvent / vehicle controls:
- yes
- Remarks:
- ethanol
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- other: 2-Nitrofluorene
- Remarks:
- TA98, without metabolic activation
- Untreated negative controls:
- yes
- Remarks:
- untreated
- Negative solvent / vehicle controls:
- yes
- Remarks:
- ethanol
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- other: 2-aminoantracene
- Remarks:
- TA98, TA100, TA1535 and TA1537, with metabolic activation
- Details on test system and experimental conditions:
- METHOD OF APPLICATION: in histidine deficient agar
- Cell density at seeding (if applicable):
ACTIVATION: S9 mix contained S9 fraction (10% v/v), MgCl2 (8 mM), KCl (33 mM), sodium orthophosphate buffer pH 7.4 (100 mM), glucose-6-phosphate (5 mM), NADP (4 mM).
DURATION
- Exposure duration: 3 days at 37°C, with and without metabolic activation, first and second mutation test
- Expression time (cells in growth medium): no data
NUMBER OF REPLICATIONS: triplicate cultures
DETERMINATION OF CYTOTOXICITY
- Method: number of revertant colonies (cloning efficiency)
OTHER EXAMINATIONS: None - Rationale for test conditions:
- No toxicity was observed in the preliminary study. Therefore, 5000 µg/plate was the highest dose tested in the main study.
- Evaluation criteria:
- If treatment with a test material produced an increase in revertant colony numbers of at least twice the concurrent solvent controls, with some evidence of a positive dose-relationship, in two separate experiments, with any bacterial strain either in the presence or absence of S9 mix was considered positive for mutagenic activity.
- Statistics:
- Not used.
- Key result
- Species / strain:
- other: S. typhimurium TA 1535, TA 1537, TA 98 and TA 100
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity nor precipitates, but tested up to recommended limit concentrations
- Vehicle controls validity:
- valid
- Positive controls validity:
- valid
- Additional information on results:
- TEST-SPECIFIC CONFOUNDING FACTORS
- Precipitation: no data
RANGE-FINDING/SCREENING STUDIES: No toxic or mutagenic potential was observed in any of the test strain at any of the test concentrations.
HISTORICAL CONTROL DATA
- Positive historical control data: within the ranges of historical control data
- Negative (solvent/vehicle) historical control data: within the ranges of historical control data - Conclusions:
- 2,4,6,8-Tetramethyl nonyl acetate has been tested in a valid bacterial reverse mutation assay, according to the OECD TG 471 with acceptable restrictions, and under GLP, using Salmonella typhimurium strains TA 98, TA 100, TA 1535 and TA 1537. No increase in the number of revertants was observed in any test strain, with or without metabolic activation. Appropriate positive and solvent controls were included and gave expected results. It is concluded that the test substance is negative for mutagenicity to bacteria under the conditions of the test.
Referenceopen allclose all
Table 1: Mean number of revertants, Experiment 1 and 2, with and without metabolic activation
Concentration μL/plate |
WP2 uvrA Experiment 1 |
WP2 uvrA Experiment 2 |
||
|
+MA |
-MA |
+MA |
-MA |
Acetone |
33 |
22 |
32 |
20 |
1.5 |
24 |
22 |
|
|
5 |
30 |
25 |
|
|
15 |
30 |
22 |
30 |
23 |
50 |
29 |
24 |
34 |
26 |
150 |
29 |
22 |
29 |
25 |
500 |
26 |
26 |
33 |
20 |
1500 |
30 |
23 |
30 |
26 |
5000 |
28 |
22 |
29 |
22 |
ENNG 2µg |
|
880 |
|
1090 |
2AA 10 µg |
300 |
|
226 |
|
Table 1: Test 1, mean number of revertants
Concentration µg/plate |
TA 1535 |
TA 1535 |
TA 1537 |
TA 1537 |
TA 98 |
TA 98 |
TA 100 |
TA 100 |
|
+MA |
-MA |
+MA |
-MA |
+MA |
-MA |
+MA |
-MA |
||
5000 µg |
11 |
12 |
9 |
7 |
15 |
13 |
69 |
122 |
|
1500 µg |
12 |
9 |
10 |
10 |
18 |
19 |
78 |
119 |
|
500 µg |
8 |
7 |
9 |
9 |
19 |
17 |
82 |
110 |
|
150 µg |
13 |
8 |
10 |
9 |
21 |
18 |
95 |
118 |
|
50 µg |
12 |
13 |
10 |
9 |
21 |
17 |
115 |
116 |
|
0 µg |
15 |
8 |
8 |
7 |
20 |
18 |
114 |
144 |
|
ethanol |
12 |
11 |
9 |
11 |
21 |
18 |
119 |
115 |
|
ENNG 5.0 |
|
120 |
|
|
|
|
|
|
|
ENNG 3.0 |
|
|
|
|
|
|
|
350 |
|
9 AC 80.0 |
|
|
104 |
|
|
|
|
|
|
NF 1.0 |
|
|
|
|
350 |
|
|
|
|
AA 2.0 |
101 |
|
40 |
|
|
|
|
|
|
AA 0.5 |
|
|
|
|
126 |
|
|
|
|
AA 1.0 |
|
|
|
|
|
|
618 |
|
Table 2: Test 2, mean number of revertants
Concentration µg/plate |
TA 1535 |
TA 1535 |
TA 1537 |
TA 1537 |
TA 98 |
TA 98 |
TA 100 |
TA 100 |
|
+MA |
-MA |
+MA |
-MA |
+MA |
-MA |
+MA |
-MA |
||
5000 µg |
5 |
5 |
6 |
4 |
14 |
18 |
104 |
103 |
|
1500 µg |
4 |
47 |
5 |
7 |
19 |
14 |
108 |
91 |
|
500 µg |
4 |
7 |
4 |
4 |
18 |
16 |
114 |
93 |
|
150 µg |
7 |
4 |
4 |
6 |
23 |
14 |
68 |
78 |
|
50 µg |
7 |
8 |
2 |
4 |
17 |
16 |
123 |
87 |
|
0 µg |
7 |
7 |
7 |
8 |
15 |
18 |
141 |
86 |
|
ethanol |
9 |
12 |
3 |
3 |
13 |
10 |
81 |
73 |
|
ENNG 5.0 |
|
201 |
|
|
|
|
|
|
|
ENNG 3.0 |
|
|
|
|
|
|
|
386 |
|
9 AC 80.0 |
|
|
|
685 |
|
|
|
|
|
NF 1.0 |
|
|
|
|
|
82 |
|
|
|
AA 2.0 |
142 |
|
103 |
|
|
|
|
|
|
AA 0.5 |
|
|
|
|
307 |
|
|
|
|
AA 1.0 |
|
|
|
|
|
|
460 |
|
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (negative)
Genetic toxicity in vivo
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
2,4,6,8-Tetramethyl nonyl acetate (complex mixture of isomers), a structural analogue of acetic acid, C11-14-isoalkyl esters, C13-rich
has been tested in a valid bacterial reverse mutation assay, according to the OECD TG 471 with acceptable restrictions, and under GLP, using Salmonella typhimurium strains TA 98, TA 100, TA 1535 and TA 1537 (Huntingdon, 1989). The restrictions were that fifth strain to detect cross-linking mutations was not used in the study. No increase in the number of revertants was observed in any test strain, with or without metabolic activation. Appropriate positive, negative and solvent controls were included and gave the expected results. It is concluded that the test substance is negative for mutagenicity to bacteria under the conditions of the test.
To fulfil the requirements of the guideline, a second study in bacteria was conducted with the registered (target) substance in order to assess its mutagenic activity in a fifth strain E. coli WPuvrA.
Acetic acid, C11-14-isoalkyl esters, C13-rich has been tested in a valid bacterial reverse mutation assay, according to the OECD TG 471 with acceptable restrictions, and under GLP, using E. coli WPuvrA (Envigo, 2016). No increase in the number of revertants was observed in the test strain, with or without metabolic activation. Appropriate positive and solvent controls were included and gave expected results. It is concluded that the test substance is negative for mutagenicity to bacteria under the conditions of the test.
Justification for classification or non-classification
Based on the weight of evidence for Acetic acid, C11-14-isoalkyl esters, C13-rich, no classification is required for genetic toxicity according to Regulation (EC) No. 1272/2008.
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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