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EC number: 300-496-1 | CAS number: 93940-97-7
- 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
![](https://echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_toxicological-information.png)
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:
- 2005-06-20 to 2006-04-24
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 006
- Report date:
- 2006
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Version / remarks:
- 1997
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method B.13/14 (Mutagenicity - Reverse Mutation Test Using Bacteria)
- Version / remarks:
- 2000
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 870.5100 - Bacterial Reverse Mutation Test (August 1998)
- Version / remarks:
- 1998
- Deviations:
- no
- GLP compliance:
- yes
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- 3-[[3-[[(2-cyanoethyl)amino]methyl]-3,5,5-trimethylcyclohexyl]amino]propiononitrile
- EC Number:
- 300-496-1
- EC Name:
- 3-[[3-[[(2-cyanoethyl)amino]methyl]-3,5,5-trimethylcyclohexyl]amino]propiononitrile
- Cas Number:
- 93940-97-7
- Molecular formula:
- C16H28N4
- IUPAC Name:
- 3-[(3-{[(2-cyanoethyl)amino]methyl}-3,5,5-trimethylcyclohexyl)amino]propanenitrile
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Lot/batch No.of test material: V3186/11
- Date of manufacture: December 7, 2004
Letter of Confirmation: CAS No 90530-15-7 and 93940-97-7 refer to the same substance and substance composition.
Method
- Target gene:
- his; trp
Species / strainopen allclose all
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98 and TA 100
- Species / strain / cell type:
- E. coli WP2 uvr A
- Metabolic activation:
- with and without
- Metabolic activation system:
- S9 mix of Aroclor induced rat liver
- Test concentrations with justification for top dose:
- both experiments:
0; 20; 100; 500; 2500 and 5000 μg/plate - Vehicle / solvent:
- - Vehicle/solvent used: DMSO
- Justification for choice of solvent/vehicle: Due to the limited solubility of the test substance in water, DMSO was selected as the vehicle, which had been demonstrated to be suitable in bacterial reverse mutation tests and for which historical control data are available.
Controlsopen allclose all
- Untreated negative controls:
- yes
- Remarks:
- sterility control
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- 9-aminoacridine
- Untreated negative controls:
- yes
- Remarks:
- sterility control
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- 4-nitroquinoline-N-oxide
- Untreated negative controls:
- yes
- Remarks:
- sterility control
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- other: 4-nitro-o-phenylendiamine
- Untreated negative controls:
- yes
- Remarks:
- sterility control
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- other: N-methyl-N'-nitro-N-nitrosoguanidine
- Untreated negative controls:
- yes
- Remarks:
- sterility control
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- other: 2-aminoanthracene
- Details on test system and experimental conditions:
- METHOD OF APPLICATION: in agar (plate incorporation); preincubation
DURATION
- Preincubation period: 20 min
- Exposure duration: 48 - 72 h
NUMBER OF REPLICATIONS: 3
DETERMINATION OF CYTOTOXICITY
- Method: decrease in the number of revertants; clearing or diminution of the background lawn (= reduced his- or trp- background growth); reduction in the titer - Rationale for test conditions:
- according to guidelines
- Evaluation criteria:
- The test chemical is considered positive in this assay if the following criteria are met:
A dose-related and reproducible increase in the number of revertant colonies, i.e. about doubling of the spontaneous mutation rate in at least one tester strain either without S-9 mix or after adding a metabolizing system.
A test substance is generally considered nonmutagenic in this test if:
The number of revertants for all tester strains were within the historical negative control range under all experimental conditions in two experiments carried out independently of each other.
Results and discussion
Test resultsopen allclose all
- Key result
- Species / strain:
- S. typhimurium 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
- Key result
- Species / strain:
- S. typhimurium TA 1537
- 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
- Key result
- Species / strain:
- S. typhimurium TA 98
- 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
- Key result
- Species / strain:
- S. typhimurium TA 100
- 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
- Key result
- Species / strain:
- E. coli WP2 uvr A
- 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
- Additional information on results:
- TEST-SPECIFIC CONFOUNDING FACTORS
- Effects of pH: no
- Effects of osmolality: no
- Evaporation from medium: no
- Water solubility: not soluble in water
- Precipitation: no
- Other confounding effects: none
HISTORICAL CONTROL DATA
please refer to "any other informations on results"
Any other information on results incl. tables
Experiment 1 Standard plate test
Dose (µg/plate) |
Mean number of revertant colonies of 3 replicates (± S.D.) for different strains of S. typhimurium and E. coli |
||||
|
TA 100 |
TA 98 |
TA 1535 |
TA 1537 |
WP2 uvrA |
|
|
||||
|
Results without S9 |
||||
DMSO |
111 ± 8 |
31 ± 5 |
16 ± 3 |
8 ± 2 |
31 ± 4 |
20 |
108 ± 4 |
24 ± 6 |
17 ± 1 |
8 ± 1 |
27 ± 5 |
100 |
108 ± 6 |
28 ± 1 |
19 ± 3 |
8 ± 2 |
34 ± 3 |
500 |
102 ± 4 |
24 ± 4 |
15 ± 2 |
9 ± 2 |
29 ± 1 |
2500 |
102 ± 11 |
26 ± 1 |
16 ± 1 |
7 ± 1 |
31 ± 2 |
5000 |
107 ± 7 |
17 ± 4 |
16 ± 2 |
6 ± 1 |
32 ± 5 |
MNNG (5) |
648 ± 36 |
- |
634 ± 43 |
- |
- |
NOPD (10) |
- |
504 ± 26 |
- |
- |
- |
AAC (100) |
- |
- |
- |
429 ± 20 |
- |
4-NQO (5) |
- |
- |
- |
- |
556 ± 24 |
|
|
||||
|
Results with S9 (1:9) |
||||
DMSO |
114 ± 9 |
35 ± 3 |
16 ± 3 |
13 ± 2 |
35 ± 5 |
20 |
117 ± 12 |
30 ± 3 |
16 ± 2 |
11 ± 3 |
32 ± 6 |
100 |
116 ± 11 |
35 ± 11 |
15 ± 2 |
10 ± 2 |
35 ± 3 |
500 |
105 ± 4 |
33 ± 3 |
18 ± 3 |
8 ± 1 |
38 ± 5 |
2500 |
101 ± 4 |
30 ± 5 |
13 ± 3 |
9 ± 3 |
40 ± 6 |
5000 |
114 ± 18 |
31 ± 3 |
14 ± 3 |
7 ± 1 |
33 ± 2 |
2- AA (2.5; 60) |
828 ± 27 |
593 ± 39 |
130 ± 21 |
133 ± 8 |
231 ± 18 |
Experiment 2 Preincubation test
Dose (µg/plate) |
Mean number of revertant colonies of 3 replicates (± S.D.) for different strains of S. typhimurium and E. coli |
||||
|
TA 100 |
TA 98 |
TA 1535 |
TA 1537 |
WP2 uvrA |
|
|
||||
|
Results without S9 |
||||
DMSO |
110 ± 4 |
30 ± 1 |
17 ± 2 |
8 ± 1 |
31 ± 5 |
20 |
108 ± 6 |
27 ± 3 |
15 ± 1 |
8 ± 3 |
29 ± 6 |
100 |
101 ± 10 |
28 ± 3 |
17 ± 2 |
8 ± 2 |
29 ± 3 |
500 |
103 ± 2 |
28 ± 4 |
16 ± 1 |
9 ± 5 |
27 ± 6 |
2500 |
101 ± 7 |
23 ± 4 |
15 ± 1 |
8 ± 2 |
25 ± 4 |
5000 |
99 ± 3 |
14 ± 2 |
15 ± 1 |
5 ± 3 |
21 ± 0 |
MMNG (5) |
674 ± 50 |
- |
553 ± 24 |
- |
- |
NOPD (10) |
- |
422 ± 29 |
- |
- |
- |
AAC (100) |
- |
- |
- |
397 ± 25 |
- |
4-NQO (5) |
- |
- |
- |
- |
620 ± 19 |
|
|
||||
|
Results with S9 (1:9) |
||||
DMSO |
107 ± 6 |
31 ± 2 |
17 ± 3 |
9 ± 2 |
35 ± 6 |
20 |
104 ± 12 |
32 ± 3 |
15 ± 2 |
11 ± 3 |
30 ± 6 |
100 |
104 ± 1 |
31 ± 3 |
17 ± 2 |
11 ± 4 |
30 ± 6 |
500 |
101 ± 5 |
25 ± 3 |
15 ± 3 |
7 ± 2 |
27 ± 2 |
2500 |
99 ± 6 |
22 ± 3 |
14 ± 4 |
7 ± 1 |
27 ± 6 |
5000 |
96 ± 11 |
13 ± 2 |
12 ± 1 |
5 ± 3 |
24 ± 4 |
2- AA (2.5) |
631 ± 21 |
598 ± 78 |
141 ± 19 |
120 ± 20 |
225 ± 22 |
Table 3 Historical control values for revertants/plate: Standard Plate Test
|
|
Bacterial strains |
|||||
Historical control data of DMSO control |
-S9 |
|
TA 98 |
TA 100 |
TA 1535 |
TA 1537 |
E. coli |
Average |
29 |
108 |
18 |
10 |
32 |
||
SD |
4 |
8 |
2 |
2 |
5 |
||
Minimum |
19 |
87 |
11 |
5 |
25 |
||
Maximum |
48 |
140 |
25 |
16 |
53 |
||
+S9 (2 -AA) |
|
TA 98 |
TA 100 |
TA 1535 |
TA 1537 |
E. coli |
|
Average |
36 |
110 |
17 |
11 |
35 |
||
SD |
5 |
9 |
2 |
2 |
5 |
||
Minimum |
21 |
91 |
10 |
5 |
25 |
||
Maximum |
50 |
154 |
24 |
18 |
58 |
||
Historical control data of positive control |
-S9 |
|
TA 98 |
TA 100 |
TA 1535 |
TA 1537 |
E. coli |
Average |
750 |
953 |
853 |
440 |
671 |
||
SD |
125 |
258 |
205 |
94 |
159 |
||
Minimum |
332 |
506 |
502 |
300 |
502 |
||
Maximum |
1200 |
1795 |
1582 |
1042 |
1478 |
||
+S9 (2-AA |
|
TA 98 |
TA 100 |
TA 1535 |
TA 1537 |
E. coli |
|
Average |
786 |
957 |
139 |
136 |
323 |
||
SD |
157 |
225 |
29 |
26 |
28 |
||
Minimum |
504 |
573 |
85 |
200 |
153 |
||
Maximum |
1745 |
1878 |
254 |
136 |
324 |
Table 4 Historical control values for revertants/plat: Preincubation test
|
|
Bacterial strains |
|||||
Historical control data of DMSO control |
-S9 |
|
TA 98 |
TA 100 |
TA 1535 |
TA 1537 |
E. coli |
Average |
28 |
109 |
17 |
10 |
32 |
||
SD |
4 |
9 |
2 |
2 |
5 |
||
Minimum |
17 |
84 |
12 |
5 |
25 |
||
Maximum |
40 |
148 |
23 |
17 |
51 |
||
+S9 (2 -AA) |
|
TA 98 |
TA 100 |
TA 1535 |
TA 1537 |
E. coli |
|
Average |
32 |
110 |
17 |
10 |
33 |
||
SD |
5 |
9 |
2 |
2 |
5 |
||
Minimum |
20 |
147 |
10 |
5 |
25 |
||
Maximum |
49 |
91 |
24 |
16 |
50 |
||
Historical control data of positive control |
-S9 |
|
TA 98 |
TA 100 |
TA 1535 |
TA 1537 |
E. coli |
Average |
739 |
842 |
747 |
420 |
599 |
||
SD |
123 |
170 |
145 |
72 |
77 |
||
Minimum |
388 |
511 |
502 |
278 |
500 |
||
Maximum |
1129 |
1583 |
1830 |
842 |
1150 |
||
+S9 (2-AA) |
|
TA 98 |
TA 100 |
TA 1535 |
TA 1537 |
E. coli |
|
Average |
665 |
740 |
122 |
115 |
230 |
||
SD |
103 |
143 |
21 |
20 |
27 |
||
Minimum |
501 |
500 |
80 |
80 |
150 |
||
Maximum |
1120 |
1380 |
258 |
200 |
307 |
Applicant's summary and conclusion
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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