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EC number: 805-659-5 | CAS number: 848820-98-4
- 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
- Remarks:
- Type of genotoxicity: gene mutation
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- January - April 2014
- Reliability:
- 1 (reliable without restriction)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 014
- Report date:
- 2014
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method B.13/14 (Mutagenicity - Reverse Mutation Test Using Bacteria)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- butyl 3-{9-oxo-8-oxa-9λ⁵-phosphatricyclo[8.4.0.0²,⁷]tetradeca-1(14),2(7),3,5,10,12-hexaen-9-yl}propanoate
- Cas Number:
- 848820-98-4
- Molecular formula:
- C19H21O4P
- IUPAC Name:
- butyl 3-{9-oxo-8-oxa-9λ⁵-phosphatricyclo[8.4.0.0²,⁷]tetradeca-1(14),2(7),3,5,10,12-hexaen-9-yl}propanoate
- Reference substance name:
- 805-659-5
- EC Number:
- 805-659-5
- IUPAC Name:
- 805-659-5
- Test material form:
- liquid: viscous
- Details on test material:
- Name: KCCS DOB11
Batch no.: DOB11-1301
Test material form: yellow to brown viscous liquid
Composition: 6H-Dibenz[c,e][1,2]oxaphosphorin-6-propanoic acid, butyl ester, 6-oxide (DOB11) ca. 97.7%; 10-Hydroxy-9,10-Dihydro-9-oxa-10-phosphaphenantrene-10-oxide (DOPO-Ox) ca. 0.7%; Butylacrylat ca. 0.2%; o-Cyclohexylphenol ca. 0.1%; others unknown
CAS No.: 848820-98-4
EINECS-No.: 805-659-5
Molecular formula: C19H21O4P
Molecular weight: 344.34 g/mol
Purity: 97.7% GC
Homogeneity: homogenous liquid
Production date: 12. Dec. 2013
Expiry date: 12. Dec. 2014
Storage: Room Temperature: (20 ± 5°C)
Constituent 1
Constituent 2
Method
Species / strain
- Species / strain / cell type:
- other: TA 97a, TA 100, TA 102 and TA 1535
- Metabolic activation:
- with and without
- Metabolic activation system:
- S9 (obtained by Trinova Biochem. Gießen, Batch no 3198; Specification produced from the livers of male Sprague-Dawley rats which were treated with 500 mg Aroclor 1254/kg body weight intraperitoneally)
- Vehicle / solvent:
- A stock solution containing 50 g/L of the test item in dimethyl sulfoxide (DMSO) was prepared. DMSO was chosen as vehicle, because the test item was sufficiently soluble, and this solvent doesn’t have any effects on the viability of the bacteria or the number of spontaneous revertants.
Controls
- Untreated negative controls:
- yes
- Remarks:
- Water
- Negative solvent / vehicle controls:
- yes
- Remarks:
- DMSO
- True negative controls:
- yes
- Remarks:
- DMSO
- Positive controls:
- yes
- Positive control substance:
- other: 4-Nitro-1,2-phenylene diamine, CAS-No.: 99-56-9
- Details on test system and experimental conditions:
- Test System
Specification
Species Salmonella typhimurium LT2
Strains TA 1535, TA 97a, TA 98, TA 100 and TA 102
Mutations TA97a: hisD6610, uvrB, pKM 101, rfa
TA 98: hisD3052, uvrB, pKM 101, rfa
TA 100: hisG46, uvrB, pKM 101, rfa
TA102: hisG428, pKM 101, rfa
TA1535: hisG46, uvrB, rfa
Salmonella typhimurium (all strains used) were obtained from TRINOVA BioChem (date of arrival: 20. Feb. 2013) and were stored as lyophilisate in the fridge at 2-8 °C. The lyophilisates were used to prepare permanent cultures which were filled into vials and stored at < -75 °C.
One day before the start of each experiment, one vial per strain to be used was taken from the deep freezer. The surface was scraped with an inoculation loop and the aliquot was put into a culture vessel containing nutrient broth. After incubation over night at 37 °C, the cultures were used in the experiment. During the test, the cultures were stored at room temperature as to prevent changes in the titre.
Results and discussion
Test results
- Species / strain:
- other: Salmonella typhimurium (TA 97a, TA 98, TA 100, TA 102 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:
- valid
- Positive controls validity:
- valid
- Remarks on result:
- other: all strains/cell types tested
- Remarks:
- Migrated from field 'Test system'.
Any other information on results incl. tables
First Experiment
Confirmation of the Criteria and Validity
The treatments for the sterility control and the determination of the titre didn’t show any inconsistencies. The determined values for the spontaneous revertants of the negative controls were in the normal range of the test laboratory. All positive controls (diagnostic mutagenes) showed mutagenic effects with and without metabolic activation.
Solubility and Toxicity
The test item was dissolved in DMSO.
No signs of toxicity towards the tested strains could be observed. The background lawn was visible and the number of revertant colonies was not reduced.
Mutagenicity
No significant increase of the number of revertant colonies in the treatments with and without metabolic activation could be observed. No concentration-related increase over the tested range was found.
Therefore the test item is stated as not mutagenic under the test conditions.
To verify this result, a second experiment was performed using the pre-incubation method.
Survey of the Findings
The mean revertant values of the four replicates are presented in the following table (Mean Revertants First Experiment)
Strain |
TA97a |
TA98 |
TA100 |
TA102 |
TA1535 |
||||||
Induction |
-S9 |
+S9 |
-S9 |
+S9 |
-S9 |
+S9 |
-S9 |
+S9 |
-S9 |
+S9 |
|
H2O |
Mean |
109 |
126 |
17 |
15 |
108 |
112 |
252 |
230 |
18 |
21 |
sd |
6.5 |
10.6 |
1.6 |
2.5 |
14.3 |
7.4 |
25.2 |
22.8 |
3.3 |
2.2 |
|
DMSO |
Mean |
133 |
132 |
13 |
17 |
155 |
125 |
213 |
241 |
20 |
21 |
sd |
29.2 |
27.4 |
3.0 |
1.7 |
33.9 |
8.3 |
15.9 |
20.4 |
3.9 |
4.4 |
|
Positive |
Mean |
704 |
520 |
222 |
154 |
778 |
680 |
997 |
962 |
280 |
341 |
sd |
39 |
15 |
35 |
25 |
54 |
42 |
38 |
111 |
40 |
29 |
|
f(I) |
5.29 |
3.94 |
17.08 |
9.06 |
7.20 |
5.44 |
4.68 |
3.99 |
15.56 |
16.24 |
|
5000 µg/pl. |
Mean |
107 |
102 |
12 |
10 |
104 |
142 |
244 |
218 |
23 |
19 |
sd |
8 |
12 |
2 |
0 |
5 |
11 |
10 |
34 |
2 |
3 |
|
f(I) |
0.80 |
0.77 |
0.92 |
0.59 |
0.67 |
1.14 |
1.15 |
0.90 |
1.15 |
0.90 |
|
1500 µg/pl. |
Mean |
137 |
101 |
10 |
16 |
137 |
140 |
253 |
240 |
22 |
21 |
sd |
7 |
10 |
0 |
3 |
5 |
8 |
5 |
34 |
4 |
5 |
|
f(I) |
1.03 |
0.77 |
0.77 |
0.94 |
0.88 |
1.12 |
1.19 |
1.00 |
1.10 |
1.00 |
|
500 µg/pl. |
Mean |
115 |
113 |
12 |
14 |
137 |
101 |
226 |
228 |
19 |
19 |
sd |
8 |
9 |
2 |
2 |
2 |
9 |
17 |
18 |
4 |
3 |
|
f(I) |
0.86 |
0.86 |
0.92 |
0.82 |
0.88 |
0.81 |
1.06 |
0.95 |
0.95 |
0.90 |
|
150 µg/pl. |
Mean |
118 |
134 |
14 |
13 |
118 |
135 |
226 |
225 |
19 |
20 |
sd |
17 |
15 |
3 |
3 |
17 |
30 |
44 |
25 |
3 |
1 |
|
f(I) |
0.89 |
1.02 |
1.08 |
0.76 |
0.76 |
1.08 |
1.06 |
0.93 |
0.95 |
0.95 |
|
50 µg/pl. |
Mean |
140 |
106 |
12 |
15 |
155 |
117 |
207 |
225 |
19 |
21 |
sd |
35 |
4 |
3 |
3 |
7 |
37 |
25 |
18 |
3 |
3 |
|
f(I) |
1.05 |
0.80 |
0.92 |
0.88 |
1.00 |
0.94 |
0.97 |
0.93 |
0.95 |
1.00 |
f(I) = increase factor
* Different positive controls were used
Second Experiment
Confirmation of the Criteria and Validity
The treatments for the sterility control and the determination of the titre didn’t show any inconsistencies. The determined values for the spontaneous revertants of the negative controls were in the normal range of the test laboratory. All positive controls showed mutagenic effects with and without metabolic activation.
Solubility and Toxicity
The test item was dissolved in DMSO.
No signs of toxicity towards the tested strains could be observed. The background lawn was visible and the number of revertant colonies was not significantly reduced.
Mutagenicity
No significant increase of the number of revertant colonies in the treatments with and without metabolic activation was observed. No concentration-related increase over the tested range was found.
Therefore the test item is stated as not mutagenic under the test conditions.
Survey of the Findings
The mean revertant values of the four replicates are presented in the following table (Mean Revertants Second Experiment)
Strain |
TA97a |
TA98 |
TA100 |
TA102 |
TA1535 |
||||||
Induction |
-S9 |
+S9 |
-S9 |
+S9 |
-S9 |
+S9 |
-S9 |
+S9 |
-S9 |
+S9 |
|
H2O |
Mean |
123 |
117 |
13 |
14 |
120 |
122 |
241 |
218 |
18 |
20 |
sd |
33.3 |
2.5 |
2.5 |
1.7 |
31.6 |
13.3 |
18.6 |
16.5 |
1.7 |
0.6 |
|
DMSO |
Mean |
127 |
150 |
15 |
14 |
108 |
128 |
252 |
241 |
21 |
21 |
sd |
24.5 |
20.0 |
2.4 |
3.5 |
10.8 |
16.4 |
15.0 |
33.0 |
4.4 |
3.6 |
|
Positive |
Mean |
361 |
375 |
219 |
175 |
732 |
1068 |
1128 |
999 |
226 |
103 |
sd |
40 |
38 |
12 |
15 |
157 |
69 |
145 |
65 |
31 |
13 |
|
f(I) |
2.84 |
2.50 |
14.60 |
12.50 |
6.10 |
8.34 |
4.48 |
4.15 |
12.56 |
4.90 |
|
5000 µg/pl. |
Mean |
128 |
107 |
15 |
11 |
109 |
117 |
243 |
222 |
19 |
18 |
sd |
11 |
11 |
3 |
2 |
7 |
36 |
29 |
27 |
5 |
3 |
|
f(I) |
1.01 |
0.71 |
1.00 |
0.79 |
1.01 |
0.91 |
0.96 |
0.92 |
0.90 |
0.86 |
|
2500 µg/pl. |
Mean |
137 |
118 |
14 |
14 |
124 |
160 |
222 |
236 |
18 |
16 |
sd |
5 |
4 |
2 |
1 |
14 |
6 |
22 |
38 |
2 |
0 |
|
f(I) |
1.08 |
0.79 |
0.93 |
1.00 |
1.15 |
1.25 |
0.88 |
0.98 |
0.86 |
0.76 |
|
1250 µg/pl. |
Mean |
117 |
120 |
11 |
10 |
134 |
101 |
220 |
233 |
19 |
14 |
sd |
8 |
7 |
4 |
0 |
10 |
7 |
23 |
16 |
6 |
4 |
|
f(I) |
0.92 |
0.80 |
0.73 |
0.71 |
1.24 |
0.79 |
0.87 |
0.97 |
0.90 |
0.67 |
|
625 µg/pl. |
Mean |
98 |
127 |
13 |
13 |
146 |
97 |
209 |
195 |
20 |
21 |
sd |
3 |
30 |
1 |
2 |
5 |
5 |
24 |
42 |
2 |
2 |
|
f(I) |
0.77 |
0.85 |
0.87 |
0.93 |
1.35 |
0.76 |
0.83 |
0.81 |
0.95 |
1.00 |
|
313 µg/pl. |
Mean |
123 |
113 |
14 |
14 |
141 |
96 |
240 |
195 |
20 |
20 |
sd |
15 |
19 |
1 |
1 |
23 |
18 |
28 |
27 |
1 |
1 |
|
f(I) |
0.97 |
0.75 |
0.93 |
1.00 |
1.31 |
0.75 |
0.95 |
0.81 |
0.95 |
0.95 |
f(I) = increase factor
* Different positive controls were used
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information):
negative
The test item KCCS DOB11 is considered as “not mutagenic under the conditions of the test”. - Executive summary:
The test item is considered not mutagenic for the reasons given above.
The test item showed a very slight cytotoxicity towards the bacteria strain TA1535 in the cytotoxicity test in the treatment without metabolic activation. This can be seen as uncritical, because the test item showed no cytotoxic effects towards this strain in the main experiment.
The confirmation tests of the genotype didn’t show any irregularities. The control of the titre was above the demanded value. The numbers of revertant colonies of the positive controls were within the range of the historical data of the laboratory and were definitely increased in comparison with the negative controls, as well as showing mutagenic potential of the diagnostic mutagenes.
Spontaneous revertants were within the normal range in comparison with the historical data of the LAUS GmbH.
For these reasons, the result of the test is considered valid.
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