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EC number: 221-361-2 | CAS number: 3077-27-8
- 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
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:
- 25 July - 11 Aug 2017
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Version / remarks:
- 21 July 1997
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method B.13/14 (Mutagenicity - Reverse Mutation Test Using Bacteria)
- Version / remarks:
- 30 May 2008
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Landesamt für Umwelt, Wasserwirtschaft und Gewerbeaufsicht, Kaiser-Friedrich-Straße 7, 55116 Mainz, Germany
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- 4-(octadecylamino)-4-oxoisocrotonic acid
- EC Number:
- 221-361-2
- EC Name:
- 4-(octadecylamino)-4-oxoisocrotonic acid
- Cas Number:
- 3077-27-8
- Molecular formula:
- C22H41NO3
- IUPAC Name:
- 4-(octadecylamino)-4-oxoisocrotonic acid
- Test material form:
- solid
Constituent 1
Method
- Target gene:
- his operon
Species / strain
- Species / strain / cell type:
- S. typhimurium, other: TA 97a, TA 98, TA 100, TA 102 and TA 1535
- Metabolic activation:
- with and without
- Metabolic activation system:
- Cofactor supplemented post-mitochondrial fraction (S9-mix), prepared from livers treated with Aroclor 1254 (500 mg/kg bw)
- Test concentrations with justification for top dose:
- Experiment 1a, plate incorporation method
S. typhimurium TA 97a, TA 98, TA 100, TA 102 and TA 1535: 5000, 1500, 500, 150 and 50 μg/plate with and without metabolic activation
Experiment 1b, plate incorporation method
S. typhimurium TA102: 5000 μg/plate, 1500, 500, 150, 50, 15 and 5 μg/plate with and without metabolic activation
Experiment 2, pre-incubation method
S. typhimurium TA 97a, TA 98, TA 100 and TA 1535): 5000, 2500, 1250, 625, 313, 156 and 78 μg/plate with and without metabolic activation
S. typhimurium TA 102: 500, 250, 125, 62.5, 31.3, 15.6 and 7.8 μg/plate with and without metabolic activation - Vehicle / solvent:
- - Vehicle(s)/solvent(s) used: ethanol
- Justification for choice of solvent/vehicle: The test item was not sufficiently soluble in demineralized water, dimethyl sulfoxide (DMSO), ethanol and tetrahydrofurane. Based on these results, ethanol was used as solvent in all experiments, because the test item showed in ethanol the best result for handling in the experiments. The test suspension was homogeneous and pipettable. In addition, ethanol does not have any effects on the viability of the bacteria or the number of spontaneous revertants in the tested concentrations.
Controls
- Untreated negative controls:
- no
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- sodium azide
- benzo(a)pyrene
- other: 2-Amino-anthracene (2-AA): +S9: 1 µg/plate (in DMSO) for TA 97a, TA 100, TA 102, TA 1535; 4-Nitro-1,2-phenylenediamine (NPD): -S9: 20 µg/plate (in DMSO) for TA 97a, TA 98, TA 102
- Details on test system and experimental conditions:
- METHOD OF APPLICATION: in agar (plate incorporation, experiments 1a and 1b) and pre-incubation (experiment 2)
DURATION
- Preincubation period: 20 min
- Exposure duration: 48 h
NUMBER OF REPLICATIONS: triplicates each in two independent experiments (experiments 1a/1b and 2)
DETERMINATION OF CYTOTOXICITY
- Method: Inspection of the bacterial background lawn and of the number of revertants - Evaluation criteria:
- The mean values and standard deviations of each threefold determination was calculated as well as the increase factor f(l) of revertant induction (mean revertants divided by mean spontaneous revertants) of the test item solutions and the positive controls. Additionally, the absolute number of revertants (Rev. Abs.) (mean revertants minus mean spontaneous revertants) was given.
A substance is considered to have mutagenic potential, if a reproducible increase of revertant colonies per plate exceeding an increase factor of 2 in at least one strain can be observed. A concentration-related increase over the range tested is also taken as a sign of mutagenic activity. - Statistics:
- The colonies were counted visually and the numbers were recorded. A validated spreadsheet was used to calculate mean values and standard deviations of each treatment, solvent control and positive control.
Results and discussion
Test resultsopen allclose all
- Species / strain:
- S. typhimurium, other: TA 97a, TA 98, TA 100 and TA 1535
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- no cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 102
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Remarks:
- -/+S9: 5000 and 1500 µg/plate
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not applicable
- Positive controls validity:
- valid
- Additional information on results:
- TEST-SPECIFIC CONFOUNDING FACTORS
- Precipitation: No precipitation was observed in any experiment at any concentration
HISTORICAL CONTROL DATA (with ranges, means and standard deviation and confidence interval (e.g. 95%) : data is summarised in "Any other information on results incl. tables"
Any other information on results incl. tables
Table 1: Mean Revertants Experiment 1a (all strains tested)
Strain |
TA97a |
TA98 |
TA100 |
TA102 |
TA1535 |
||||||
Induction |
-S9 |
+S9 |
-S9 |
+S9 |
-S9 |
+S9 |
-S9 |
+S9 |
-S9 |
+S9 |
|
Demin. water |
Mean |
85 |
80 |
29 |
34 |
73 |
93 |
307 |
377 |
27 |
26 |
sd |
6.9 |
12.7 |
6.4 |
9.8 |
5.9 |
13.6 |
48.4 |
61.1 |
1.5 |
7.0 |
|
DMSO |
Mean |
98 |
97 |
35 |
38 |
78 |
78 |
320 |
388 |
22 |
24 |
sd |
19.6 |
4.0 |
5.9 |
6.7 |
5.5 |
3.5 |
31.2 |
28.8 |
3.2 |
4.0 |
|
Ethanol |
Mean |
76 |
83 |
24 |
26 |
72 |
72 |
295 |
313 |
22 |
22 |
sd |
11.4 |
7.0 |
6.4 |
6.0 |
10.6 |
8.6 |
96.4 |
37.2 |
3.8 |
5.9 |
|
Positive Controls* |
Mean |
637 |
781 |
383 |
86 |
451 |
1528 |
1411 |
1472 |
323 |
183 |
sd |
99.4 |
64.2 |
27.2 |
8.1 |
22.7 |
424.2 |
100.0 |
36.7 |
56.6 |
28.4 |
|
f(I) |
6.50 |
8.05 |
10.94 |
2.26 |
6.18 |
19.59 |
4.41 |
3.79 |
11.96 |
7.63 |
|
5000 µg/plate |
Mean |
99 |
93 |
22 |
26 |
76 |
82 |
79 |
48 |
20 |
19 |
sd |
18.9 |
15.1 |
3.1 |
5.9 |
4.0 |
18.9 |
12.6 |
14.5 |
2.1 |
1.5 |
|
f(I) |
1.30 |
1.12 |
0.92 |
1.00 |
1.06 |
1.14 |
0.27 |
0.15 |
0.91 |
0.86 |
|
1500 µg/plate |
Mean |
79 |
98 |
24 |
21 |
75 |
74 |
66 |
95 |
17 |
19 |
sd |
16.2 |
9.0 |
4.0 |
6.4 |
11.5 |
8.0 |
19.9 |
23.1 |
1.5 |
2.5 |
|
f(I) |
1.04 |
1.18 |
1.00 |
0.81 |
1.04 |
1.03 |
0.22 |
0.30 |
0.77 |
0.86 |
|
500 µg/plate |
Mean |
90 |
94 |
26 |
24 |
82 |
77 |
285 |
331 |
23 |
19 |
sd |
22.0 |
15.9 |
5.5 |
2.9 |
6.0 |
13.6 |
60.2 |
10.1 |
4.5 |
3.2 |
|
f(I) |
1.18 |
1.13 |
1.08 |
0.92 |
1.14 |
1.07 |
0.97 |
1.06 |
1.05 |
0.86 |
|
150 µg/plate |
Mean |
79 |
84 |
26 |
20 |
66 |
76 |
281 |
384 |
18 |
23 |
sd |
15.0 |
20.3 |
6.9 |
2.6 |
5.5 |
10.7 |
89.3 |
10.6 |
3.6 |
0.6 |
|
f(I) |
1.04 |
1.01 |
1.08 |
0.77 |
0.92 |
1.06 |
0.95 |
1.23 |
0.82 |
1.05 |
|
50 µg/plate |
Mean |
88 |
89 |
25 |
32 |
83 |
64 |
291 |
355 |
22 |
24 |
sd |
5.2 |
6.4 |
4.0 |
1.2 |
14.5 |
6.2 |
63.8 |
64.7 |
4.6 |
4.2 |
|
f(I) |
1.16 |
1.07 |
1.04 |
1.23 |
1.15 |
0.89 |
0.99 |
1.13 |
1.00 |
1.09 |
f(I) = increase factor
* Different positive controls were used
Table 2: Mean Revertants Experiment 1b (strain TA 102)
Strain |
TA102 |
||
Induction |
-S9 |
+S9 |
|
Demin. water |
Mean |
356 |
345 |
sd |
62.9 |
72.6 |
|
DMSO |
Mean |
257 |
324 |
sd |
26.6 |
20.8 |
|
Ethanol |
Mean |
292 |
258 |
sd |
58.9 |
24.0 |
|
Positive Controls* |
Mean |
689 |
1083 |
sd |
60.2 |
400.0 |
|
f(I) |
2.68 |
3.34 |
|
5000 µg/plate |
Mean |
12 |
4 |
sd |
1.0 |
1.5 |
|
f(I) |
0.04 |
0.02 |
|
1500 µg/plate |
Mean |
80 |
56 |
sd |
10.0 |
9.0 |
|
f(I) |
0.27 |
0.22 |
|
500 µg/plate |
Mean |
315 |
268 |
sd |
46.4 |
58.9 |
|
f(I) |
1.08 |
1.04 |
|
150 µg/plate |
Mean |
284 |
284 |
sd |
52.3 |
52.0 |
|
f(I) |
0.97 |
1.10 |
|
50 µg/plate |
Mean |
355 |
292 |
sd |
50.0 |
34.6 |
|
f(I) |
1.22 |
1.13 |
|
15 µg/plate |
Mean |
339 |
349 |
sd |
47.7 |
120.2 |
|
f(I) |
1.16 |
1.35 |
|
5 µg/plate |
Mean |
304 |
287 |
sd |
65.8 |
33.5 |
|
f(I) |
1.04 |
1.11 |
f(I) = increase factor
* Different positive controls were used
Table 3: Mean Revertants Experiment 2 (strains TA 97a, TA 98, TA 100 and TA 1535)
Strain |
TA97a |
TA98 |
TA100 |
TA1535 |
|||||
Induction |
-S9 |
+S9 |
-S9 |
+S9 |
-S9 |
+S9 |
-S9 |
+S9 |
|
Demin. water |
Mean |
64 |
81 |
24 |
28 |
51 |
64 |
22 |
23 |
sd |
4.0 |
17.9 |
4.7 |
2.1 |
4.0 |
6.7 |
4.2 |
6.1 |
|
DMSO |
Mean |
82 |
67 |
28 |
34 |
44 |
62 |
24 |
24 |
sd |
13.7 |
11.0 |
8.2 |
5.6 |
3.6 |
7.5 |
4.4 |
4.2 |
|
Ethanol |
Mean |
61 |
87 |
32 |
35 |
40 |
48 |
21 |
23 |
sd |
8.5 |
14.2 |
4.0 |
4.2 |
1.0 |
1.5 |
5.0 |
4.9 |
|
Positive Controls* |
Mean |
631 |
237 |
459 |
165 |
429 |
491 |
280 |
141 |
sd |
83.2 |
59.8 |
88.1 |
8.1 |
113.5 |
132.8 |
59.7 |
9.2 |
|
f(I) |
7.70 |
3.54 |
16.39 |
4.85 |
8.41 |
7.92 |
12.73 |
5.88 |
|
5000 µg/plate |
Mean |
71 |
80 |
22 |
29 |
54 |
64 |
15 |
17 |
sd |
5.7 |
1.2 |
7.2 |
3.0 |
6.1 |
8.5 |
1.7 |
2.6 |
|
f(I) |
1.16 |
0.92 |
0.69 |
0.83 |
1.35 |
1.33 |
0.71 |
0.74 |
|
2500 µg/plate |
Mean |
69 |
76 |
25 |
29 |
46 |
73 |
18 |
26 |
sd |
2.5 |
5.0 |
4.9 |
1.5 |
9.1 |
6.1 |
2.0 |
2.5 |
|
f(I) |
1.13 |
0.87 |
0.78 |
0.83 |
1.15 |
1.52 |
0.86 |
1.13 |
|
1250 µg/plate |
Mean |
86 |
103 |
21 |
31 |
52 |
63 |
18 |
23 |
sd |
14.7 |
19.3 |
2.1 |
10.1 |
7.0 |
14.5 |
2.0 |
5.5 |
|
f(I) |
1.41 |
1.18 |
0.66 |
0.89 |
1.30 |
1.31 |
0.86 |
1.00 |
|
625 µg/plate |
Mean |
71 |
85 |
26 |
28 |
57 |
68 |
18 |
28 |
sd |
12.7 |
17.2 |
9.6 |
4.7 |
4.6 |
9.0 |
1.5 |
3.5 |
|
f(I) |
1.16 |
0.98 |
0.81 |
0.80 |
1.43 |
1.42 |
0.86 |
1.22 |
|
313 µg/plate |
Mean |
66 |
72 |
28 |
25 |
42 |
56 |
17 |
23 |
sd |
0.0 |
4.2 |
5.2 |
4.5 |
7.0 |
5.6 |
2.3 |
2.1 |
|
f(I) |
1.08 |
0.83 |
0.88 |
0.71 |
1.05 |
1.17 |
0.81 |
1.00 |
|
156 µg/plate |
Mean |
74 |
95 |
30 |
35 |
55 |
69 |
21 |
26 |
sd |
2.9 |
4.0 |
7.2 |
7.9 |
8.7 |
8.1 |
6.6 |
4.0 |
|
f(I) |
1.21 |
1.09 |
0.94 |
1.00 |
1.38 |
1.44 |
1.00 |
1.13 |
|
78 µg/plate |
Mean |
72 |
74 |
27 |
28 |
37 |
45 |
16 |
23 |
sd |
4.6 |
6.4 |
8.0 |
9.0 |
7.9 |
11.4 |
3.1 |
2.9 |
|
f(I) |
1.18 |
0.85 |
0.84 |
0.80 |
0.93 |
0.94 |
0.76 |
1.00 |
f(I) = increase factor
* Different positive controls were used
Table 4: Mean Revertants Experiment 2 (strain TA 102)
Strain |
TA102 |
||
Induction |
-S9 |
+S9 |
|
Demin. water |
Mean |
287 |
283 |
sd |
19.7 |
28.1 |
|
DMSO |
Mean |
287 |
268 |
sd |
42.0 |
38.2 |
|
Ethanol |
Mean |
253 |
335 |
sd |
42.4 |
43.9 |
|
Positive Controls* |
Mean |
952 |
1325 |
sd |
298.2 |
51.4 |
|
f(I) |
3.32 |
4.94 |
|
500 µg/plate |
Mean |
320 |
332 |
sd |
39.4 |
35.6 |
|
f(I) |
1.26 |
0.99 |
|
250 µg/plate |
Mean |
292 |
292 |
sd |
13.9 |
10.6 |
|
f(I) |
1.15 |
0.87 |
|
125 µg/plate |
Mean |
301 |
287 |
sd |
58.0 |
26.6 |
|
f(I) |
1.19 |
0.86 |
|
62.5 µg/plate |
Mean |
271 |
269 |
sd |
24.1 |
64.8 |
|
f(I) |
1.07 |
0.80 |
|
31.3 µg/plate |
Mean |
276 |
283 |
sd |
52.9 |
42.0 |
|
f(I) |
1.09 |
0.84 |
|
15.6 µg/plate |
Mean |
289 |
315 |
sd |
42.8 |
77.7 |
|
f(I) |
1.14 |
0.94 |
|
7.8 µg/plate |
Mean |
280 |
275 |
sd |
17.4 |
15.1 |
|
f(I) |
1.11 |
0.82 |
f(I) = increase factor
* Different positive controls were used
Table 5: Historical Data of Spontaneous Revertants and Comparison with Experiments 1a, 1b and 2
Strain |
|
TA97a |
TA98 |
TA100 |
TA102 |
TA1535 |
|||||
Induction |
|
- S9 |
+ S9 |
- S9 |
+ S9 |
- S9 |
+ S9 |
- S9 |
+ S9 |
- S9 |
+ S9 |
H2O de-min. |
Mean |
92 |
97 |
15 |
18 |
93 |
97 |
279 |
296 |
17 |
17 |
Min |
60 |
63 |
6 |
8 |
62 |
66 |
85 |
67 |
6 |
7 |
|
Max |
144 |
138 |
37 |
41 |
141 |
141 |
425 |
511 |
31 |
33 |
|
SD |
19 |
16 |
6 |
6 |
15 |
15 |
65 |
75 |
6 |
6 |
|
Exp 1a |
85 |
80 |
29 |
34 |
73 |
93 |
307 |
377 |
27 |
26 |
|
Exp 1b |
n.r. |
n.r. |
n.r. |
n.r. |
n.r. |
n.r. |
356 |
345 |
n.r. |
n.r. |
|
Exp 2 |
64 |
81 |
24 |
28 |
51 |
64 |
287 |
283 |
22 |
23 |
|
DMSO |
Mean |
91 |
100 |
15 |
16 |
90 |
93 |
279 |
289 |
17 |
16 |
Min |
58 |
70 |
7 |
8 |
60 |
63 |
79 |
80 |
8 |
6 |
|
Max |
135 |
144 |
46 |
36 |
136 |
199 |
393 |
459 |
33 |
31 |
|
SD |
18 |
16 |
7 |
6 |
16 |
19 |
61 |
65 |
6 |
6 |
|
Exp 1a |
98 |
97 |
35 |
38 |
78 |
78 |
320 |
388 |
22 |
24 |
|
Exp 1b |
n.r. |
n.r. |
n.r. |
n.r. |
n.r. |
n.r. |
257 |
324 |
n.r. |
n.r. |
|
Exp 2 |
82 |
67 |
28 |
34 |
44 |
62 |
287 |
268 |
24 |
24 |
|
Ethanol |
Mean |
89 |
99 |
16 |
17 |
86 |
90 |
284 |
275 |
16 |
16 |
Min |
57 |
65 |
8 |
9 |
61 |
69 |
111 |
141 |
9 |
9 |
|
Max |
181 |
205 |
35 |
40 |
116 |
129 |
368 |
339 |
28 |
29 |
|
SD |
24 |
29 |
7 |
8 |
13 |
16 |
52 |
47 |
6 |
6 |
|
Exp 1a |
76 |
83 |
24 |
26 |
72 |
72 |
295 |
313 |
22 |
22 |
|
Exp 1b |
n.r. |
n.r. |
n.r. |
n.r. |
n.r. |
n.r. |
292 |
258 |
n.r. |
n.r. |
|
Exp 2 |
61 |
87 |
32 |
35 |
40 |
48 |
253 |
335 |
21 |
23 |
|
Positive Controls* |
Mean |
552 |
501 |
394 |
83 |
513 |
716 |
1160 |
1237 |
254 |
115 |
Min |
264 |
241 |
100 |
39 |
223 |
273 |
491 |
408 |
55 |
45 |
|
Max |
1152 |
1181 |
793 |
333 |
984 |
1912 |
2331 |
6083 |
484 |
712 |
|
SD |
169 |
144 |
143 |
49 |
153 |
290 |
452 |
659 |
89 |
79 |
|
Exp 1a |
637 |
781 |
383 |
86 |
451 |
1528 |
1411 |
1472 |
323 |
183 |
|
Exp 1b |
n.r. |
n.r. |
n.r. |
n.r. |
n.r. |
n.r. |
689 |
1083 |
n.r. |
n.r. |
|
Exp 2 |
631 |
237 |
459 |
165 |
429 |
491 |
952 |
1325 |
280 |
141 |
* Different positive controls were used
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results: negative
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