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EC number: 292-960-4 | CAS number: 91031-57-1
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
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- Density
- Particle size distribution (Granulometry)
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- Flash point
- Auto flammability
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- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
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- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
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- 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
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- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
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- Carcinogenicity
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- Exposure related observations in humans
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- Additional toxicological data
Genetic toxicity: in vitro
Administrative data
- Endpoint:
- in vitro gene mutation study in bacteria
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 14 - 25 Jul 2022
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 022
- Report date:
- 2022
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Version / remarks:
- adopted in 1997; corrected in 2020
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- Fatty acids, C16-18, isononyl esters
- EC Number:
- 292-960-4
- EC Name:
- Fatty acids, C16-18, isononyl esters
- Cas Number:
- 91031-57-1
- Molecular formula:
- not available - multi constituent substance
- IUPAC Name:
- Fatty acids, C16-18, isononyl esters
Constituent 1
Method
- Target gene:
- his operon (for S. typhimurium strains)
trp operon (for the E.coli strain)
Species / strainopen allclose all
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98 and TA 100
- Details on mammalian cell type (if applicable):
- not applicable
- Additional strain / cell type characteristics:
- other: rfa (deep rough (defective lipopolysaccharide cellcoat)), gal (mutation in galactose metabolism); chl (mutation in nitrate reductase); bio (defective biotin synthesis); uvrB (loss of excision repair system (deletion of ultraviolet-repair B gene))
- Species / strain / cell type:
- E. coli WP2 uvr A
- Details on mammalian cell type (if applicable):
- not applicable
- Additional strain / cell type characteristics:
- other: The strain lacks an excision repair system and is sensitive to agents such as UV. The sensitivity of the strain to a wide variety of mutagens has been enhanced by permeabilization of the strain using Tris-EDTA treatment.
- Metabolic activation:
- with and without
- Metabolic activation system:
- Type and composition of metabolic activation system:
- source of S9: Trinova Biochem GmbH (Giessen, Germany); prepared from male Sprague Dawley rats that have been dosed orally with a suspension of phenobarbital (80 mg/kg bw) and ß-naphthoflavone (100 mg/kg bw)
- method of preparation of S9 mix: S9-mix was prepared immediately before use and kept refrigerated. S9-mix contained per 10 mL: 30 mg NADP (Randox Laboratories Ltd., Crumlin, United Kingdom) and 15.2 mg glucose-6-phosphate (Roche Diagnostics, Mannheim, Germany) in 5.5 mL Milli-Q water (Millipore Corp., Bedford, MA, USA); 2 mL 0.5 M sodium phosphate buffer pH 7.4; 1 mL 0.08 M MgCl2 solution (Merck); 1 mL 0.33 M KCl solution (Merck). The above solution was filter (0.22 µm)-sterilized. To 9.5 mL of S9-mix components, 0.5 mL S9-fraction was added (5% (v/v) S9-fraction) to complete the S9-mix.
- concentration or volume of S9 mix in the final culture medium: 0.5 mL S9 mix
- quality controls of S9 (e.g., enzymatic activity, sterility, metabolic capability): Each S9 batch was characterized with the mutagens benzo-(a)-pyrene (Sigma) and 2-aminoanthracene, which require metabolic activation, in tester strain TA100 at concentrations of 5 µg/plate and 2.5 µg/plate, respectively. - Test concentrations with justification for top dose:
- Experiment 1 (Direct plate assay):
- all strains: 1.7, 5.4, 17, 52, 164, 512, 1600, 5000 µg/plate with and without metabolic activation,
Experiment 2 (Pre-incubation assay):
- all strains: 17, 52, 164, 512, 1600, 5000 µg/plate with and without metabolic activation
5000 µg/plate is the recommended maximum test concentration for soluble non-cytotoxic substances according to OECD 471. - Vehicle / solvent:
- - Vehicle(s)/solvent(s) used: Ethanol (Merck, Darmstadt, Germany)
- Justification for choice of solvent/vehicle: Ethanol was selected for use in the assay as it has been routinely used and validated for use in the bacterial reverse mutation assay. The test material formed a clear colourless solution in ethanol.
Controls
- Untreated negative controls:
- no
- Negative solvent / vehicle controls:
- yes
- Remarks:
- Ethanol
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- 4-nitroquinoline-N-oxide
- 2-nitrofluorene
- sodium azide
- other: ICR-191; in DMSO; -S9 / TA1537 / 2.5 µg/plate (Exp 1); Methylmethanesulfonate - MMS; in DMSO; -S9 / TA 100 / 650 µg/plate (Exp 1 and 2);
- Details on test system and experimental conditions:
- NUMBER OF REPLICATIONS:
- Number of cultures per concentration: three replicate plates / dose
- Number of independent experiments: 2 (direct plate and pre-incubation assay)
METHOD OF TREATMENT/ EXPOSURE:
- Cell density at seeding (if applicable): 10^9 cells/mL
- Test substance added in agar (plate incorporation; Experiment 1); pre-incubation (Experiment 2)
TREATMENT AND HARVEST SCHEDULE:
Direct plate assay
- Exposure duration/duration of treatment: 48 ± 4 h at 37.0 ± 1.0 °C
Pre-incubation assay
- Preincubation period: 30 ± 2 min at 37.0 ± 1.0 °C
- Exposure duration/duration of treatment: 48 ± 4 h at 37.0 ± 1.0 °C
METHODS FOR MEASUREMENT OF CYTOTOXICITY
- Method: Reduction of the bacterial background lawn, the increase in the size of the microcolonies and the reduction of the revertant colonies per plate.
METHODS FOR MEASUREMENTS OF GENOTOXICITY
- The revertant colonies were counted automatically with the Sorcerer Colony Counter. Plates with sufficient test material precipitate to interfere with automated colony counting were counted manually. Evidence of test material precipitate on the plates and the condition of the bacterial background lawn were evaluated when considered necessary, macroscopically and/or microscopically by using a dissecting microscope.
OTHER
- The Salmonella typhimurium strains were checked at least every year to confirm their histidine-requirement, crystal violet sensitivity, ampicillin resistance (TA98 and TA100), UV-sensitivity and the number of spontaneous revertants.
- The Escherichia coli WP2uvrA strain was checked to confirm the tryptophan-requirement, UV-sensitivity and the number of spontaneous revertants at least every year. - Rationale for test conditions:
- Test conditions according to OECD 471
- Evaluation criteria:
- A test material is considered negative (not mutagenic) in the test if:
a) The total number of revertants in tester strain TA 100 or WP2uvrA is not greater than two times the concurrent control, and the total number of revertants in tester strains TA 1535, TA 1537 or TA 98 is not greater than three times the concurrent control.
b) The negative response should be reproducible in at least one follow-up experiment.
A test material is considered positive (mutagenic) in the test if:
a) The total number of revertants in tester strain TA 100 or WP2uvrA is greater than two times the concurrent control, or the total number of revertants in tester strains TA 1535, TA 1537 or TA 98 is greater than three times the concurrent control.
b) In case a repeat experiment is performed when a positive response is observed in one of the tester strains, the positive response should be reproducible in at least one follow-up experiment. - Statistics:
- Mean values and standard deviations were calculated.
Results and discussion
Test resultsopen allclose all
- 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:
- Precipitation at concentrations of 1600 μg/plate and upwards in Experiment 1 and 2 with and without S9-mix.
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- True 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:
- no cytotoxicity, but tested up to precipitating concentrations
- Remarks:
- Precipitation at concentrations of 512 μg/plate and upwards in Experiment 1 and 1600 μg/plate and upwards in Experiment 2 with and without S9-mix.
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- True 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:
- no cytotoxicity, but tested up to precipitating concentrations
- Remarks:
- Precipitation at concentrations of 512 μg/plate and upwards in Experiment 1 (with S9-mix) and 1600 μg/plate and upwards in Experiment 1 (without S9-mix) and in Experiment 2.
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- True 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:
- no cytotoxicity, but tested up to precipitating concentrations
- Remarks:
- Precipitation at concentrations of 1600 μg/plate and upwards in Experiment 1 and 2 with and without S9-mix.
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- True negative controls validity:
- not examined
- Positive controls validity:
- valid
- Key result
- Species / strain:
- S. typhimurium TA 1535
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity, but tested up to precipitating concentrations
- Remarks:
- Precipitation at concentrations of 1600 μg/plate and upwards in Experiment 1 and 2 with and without S9-mix.
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- True negative controls validity:
- not examined
- Positive controls validity:
- valid
- Additional information on results:
- TEST-SPECIFIC CONFOUNDING FACTORS
- The test material formed a clear colourless solution in ethanol.
- Precipitation: In Experiment 1, precipitation of the test material on the plates was observed at concentrations of 512 μg/plate and upwards in tester strains TA100 (absence and presence of S9-mix) and TA98 (presence of S9-mix). Precipitation of the test material on the plates was observed at concentrations of 1600 μg/plate and upwards in the other tester strains. In Experiment 2, precipitation of the test material on the plates was observed at concentrations of 1600 μg/plate and upwards in all tester strains in the absence and presence of S9-mix.
STUDY RESULTS:
In the Direct Plate Assay (Experiment 1) and Pre-Incubation Assay (Experiment 2), there was no increase in the number of revertants observed upon treatment with the test material under all conditions tested (refer to 'Any other information on results incl. tables', table 1 and 2).
The negative and strain-specific positive control values were within the laboratory historical control data ranges indicating that the test conditions were adequate and that the metabolic activation system functioned properly. There was no reduction of the bacterial background lawn and no biologically relevant decrease in the number of revertants observed upon treatment with the test material under all conditions tested.
HISTORICAL CONTROL DATA
See 'Any other information on results incl. tables', table 3 and 4.
Any other information on results incl. tables
Table 1: Experiment 1 – Direct plate assay
Dose (µg/plate) |
Mean number of revertant colonies / 3 replicate plates (± SD) |
|||||||||
TA1535 |
TA1537 |
TA98 |
TA100 |
WP2 uvrA |
||||||
Mean |
± SD |
Mean |
± SD |
Mean |
± SD |
Mean |
± SD |
Mean |
± SD |
|
Without metabolic activation |
||||||||||
Solvent control |
9 |
4 |
5 |
4 |
20 |
2 |
94 |
20 |
12 |
2 |
1.7 |
8 |
4 |
3 |
2 |
10 |
2 |
94 |
12 |
15 |
4 |
5.4 |
8 |
3 |
3 |
2 |
10 |
2 |
86 |
20 |
17 |
4 |
17 |
7 |
2 |
2 |
1 |
15 |
5 |
90 |
5 |
15 |
3 |
52 |
5 |
1 |
4 |
2 |
19 |
7 |
89 |
2 |
14 |
4 |
164 |
6 |
2 |
3 |
1 |
13 |
2 |
77 |
6 NP |
15 |
1 |
512 |
10 |
2 NP |
2 |
2 NP |
11 |
6 NP |
84 |
14 SP |
18 |
4 NP |
1600 |
6 |
2 SP |
3 |
1 SP |
9 |
3 SP |
93 |
13 SP |
15 |
8 SP |
5000 |
10 |
3 n SP |
4 |
2 n SP |
11 |
3 n SP |
86 |
9 n SP |
22 |
3 n SP |
Positive control |
903 |
83 |
1147 |
129 |
1044 |
242 |
662 |
106 |
984 |
250 |
With metabolic activation |
||||||||||
Solvent control |
9 |
3 |
7 |
4 |
22 |
7 |
59 |
13 |
20 |
2 |
1.7 |
9 |
5 |
2 |
2 |
15 |
7 |
72 |
8 |
17 |
2 |
5.4 |
5 |
3 |
4 |
1 |
17 |
3 |
58 |
7 |
13 |
3 |
17 |
8 |
5 |
7 |
6 |
21 |
6 |
74 |
13 |
21 |
3 |
52 |
5 |
3 |
4 |
1 |
18 |
5 |
77 |
11 |
24 |
6 |
164 |
8 |
3 |
2 |
2 |
19 |
1 NP |
72 |
4 NP |
15 |
1 |
512 |
5 |
3 NP |
2 |
1 NP |
23 |
4 SP |
62 |
6 SP |
17 |
5 NP |
1600 |
9 |
2 SP |
6 |
5 SP |
20 |
3 SP |
78 |
12 SP |
19 |
4 SP |
5000 |
5 |
3 n SP |
4 |
1 n SP |
22 |
11 n SP |
80 |
13 n SP |
20 |
5 n SP |
Positive control |
|
26 |
196 |
24 |
1176 |
196 |
812 |
173 |
339 |
23 |
NP = No precipitate SP = Slight precipitate n = Normal bacterial background lawn
Positive controls (without metabolic activation): TA1535 – sodium azide (SA) TA1537 – ICR-191 TA98 – 2-nitrofluorene (NF) TA100 – methylmethanesulfonate (MMS) WP2 uvrA - 4-nitroquinoline N-oxide (4-NQO)
Positive controls (with metabolic activation) All strains – 2-aminoanthracene (2AA) |
Table 2: Experiment 2 – Pre-incubation assay
Dose (µg/plate) |
Mean number of revertant colonies / 3 replicate plates (± SD) |
|||||||||
TA1535 |
TA1537 |
TA98 |
TA100 |
WP2 uvrA |
||||||
Mean |
± SD |
Mean |
± SD |
Mean |
± SD |
Mean |
± SD |
Mean |
± SD |
|
Without metabolic activation |
||||||||||
Solvent control |
6 |
5 |
4 |
1 |
13 |
1 |
89 |
10 |
19 |
10 |
17 |
7 |
3 |
4 |
1 |
6 |
3 |
95 |
7 |
19 |
1 |
52 |
9 |
6 |
3 |
2 |
9 |
1 |
95 |
6 |
19 |
3 |
164 |
10 |
1 |
2 |
1 |
12 |
2 |
89 |
10 |
23 |
2 |
512 |
6 |
2 NP |
3 |
2 NP |
8 |
3 NP |
101 |
15 NP |
22 |
11 NP |
1600 |
9 |
6 SP |
6 |
2 SP |
8 |
4 e MC m SP1 |
89 |
8 SP |
15 |
8 SP |
5000 |
10 |
3 n SP |
4 |
1 n SP |
15 |
8 n SP |
116 |
5 n SP |
20 |
9 n SP |
Positive control |
723 |
65 |
1038 |
231 |
1362 |
1552 |
537 |
30 |
187 |
73 |
With metabolic activation |
||||||||||
Solvent control |
9 |
2 |
3 |
2 |
21 |
8 |
94 |
4 |
24 |
6 |
17 |
10 |
3 |
8 |
3 |
16 |
4 |
83 |
13 |
19 |
1 |
52 |
10 |
3 |
4 |
1 |
23 |
3 |
84 |
8 |
27 |
1 |
164 |
8 |
3 |
4 |
4 |
17 |
2 |
72 |
10 |
23 |
4 |
512 |
5 |
2 NP |
5 |
4 NP |
22 |
2 NP |
84 |
10 NP |
26 |
8 NP |
1600 |
11 |
7 SP |
6 |
2 SP |
12 |
3 SP |
91 |
4 SP |
31 |
7 SP |
5000 |
10 |
5 n SP |
4 |
1 n SP |
24 |
10 n SP |
93 |
10 n SP |
27 |
6 n SP |
Positive control |
125 |
50 |
259 |
110 |
614 |
26 |
470 |
400 |
446 |
25 |
1 = Considered a outlier due to effects only seen at one dose in the middle of the tested dose range 2 = Outlier excluded: Mean of two plates MC = Microcolonies NP = No precipitate SP = Slight precipitate e = Bacterial background lawn extremely reduced m = Bacterial background lawn moderately reduced n = Normal bacterial background lawn
Positive controls (without metabolic activation): TA1535 – sodium azide (SA) TA1537 and TA98 – 2-nitrofluorene (NF) TA100 – methylmethanesulfonate (MMS) WP2 uvrA - 4-nitroquinoline N-oxide (4-NQO)
Positive controls (with metabolic activation) All strains – 2-aminoanthracene (2AA) |
Table 3: Historical control data of the solvent control (Jun 2019 – Jun 2022)
|
TA 1535 |
TA 1537 |
TA 98 |
TA 100 |
WP2uvrA |
|||||
S9-mix |
- |
+ |
- |
+ |
- |
+ |
- |
+ |
- |
+ |
Range |
2 – 22 |
3 – 28 |
1 – 24 |
1 – 20 |
3 – 32 |
5 – 62 |
56 – 188 |
34 – 169 |
9 – 54 |
9 – 73 |
Mean |
9 |
10 |
4 |
5 |
12 |
17 |
99 |
86 |
19 |
22 |
SD |
2.6 |
2.8 |
2.1 |
2.3 |
3.6 |
5.1 |
16 |
20 |
5.0 |
6.4 |
Total number of plates |
2242 |
2282 |
2274 |
2323 |
2337 |
2413 |
2347 |
2390 |
2137 |
2158 |
95% upper limit |
14 |
15 |
8.1 |
9.5 |
19 |
27 |
130 |
126 |
29 |
35 |
95% lower limit |
3.9 |
4.5 |
-0.12 |
0.49 |
4.8 |
7.0 |
68 |
46 |
9.2 |
9.5 |
SD = Standard deviation |
Table 4: Historical control data of the positive control (Jun 2019 – Jun 2022)
|
TA 1535 |
TA 1537 |
TA 98 |
TA 100 |
WP2uvrA |
|||||
S9-mix |
- |
+ |
- |
+ |
- |
+ |
- |
+ |
- |
+ |
Range |
95 – 1373 |
78 – 1145 |
71 – 2175 |
46 – 1989 |
379 – 2141 |
251 – 3369 |
167 – 1870 |
166 – 2185 |
89 – 2027 |
115 – 1642 |
Mean |
863 |
261 |
863 |
253 |
1393 |
978 |
783 |
1259 |
1281 |
437 |
SD |
176 |
109 |
377 |
164 |
319 |
416 |
189 |
426 |
361 |
209 |
Total number of plates |
2054 |
2107 |
1609 |
2133 |
2180 |
2186 |
2133 |
2212 |
2002 |
1983 |
95% upper limit |
1207 |
474 |
1603 |
574 |
2017 |
1794 |
1152 |
2093 |
1988 |
846 |
95% lower limit |
519 |
48 |
123 |
-68 |
769 |
162 |
414 |
425 |
574 |
28 |
SD = Standard deviation |
Applicant's summary and conclusion
- Conclusions:
- Under the present test conditions, Fatty acids, C16-18, isononyl esters showed negative mutagenic responses in all bacterial strains over the entire dose-range.
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