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EC number: 213-367-9 | CAS number: 939-97-9
- 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
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- 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
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study with acceptable restrictions (missing strain for detecting cross-link mutations, e.g. TA102 or E. coli WP2)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 991
- Report date:
- 1991
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 471 (Bacterial Reverse Mutation Assay)
- Deviations:
- yes
- Remarks:
- ; only 4 S. typhimurium strains were used (TA1535, TA100, TA1537 and TA98), 5 are recommended in OECD 471
- GLP compliance:
- yes
- Type of assay:
- bacterial reverse mutation assay
Test material
- Reference substance name:
- 4-tert-butylbenzaldehyde
- EC Number:
- 213-367-9
- EC Name:
- 4-tert-butylbenzaldehyde
- Cas Number:
- 939-97-9
- Molecular formula:
- C11H14O
- IUPAC Name:
- 4-tert-butylbenzaldehyde
- Details on test material:
- - Name of test material (as cited in study report): 4-tertiaer-Butylbenzaldehyde (TBA)
- Physical state: colourless to yellowish liquid
- Analytical purity: 96.0 %
- Storage condition of test material: +4 °C to +6 °C (under N2)
Constituent 1
Method
- Target gene:
- Determination of the rate of induced back mutations of several bacteria mutants from histidine auxotrophy (his-) to histidine prototrophy (his+).
Species / strain
- Species / strain / cell type:
- other: Salmonella typhimurium strains TA 1535, TA 100, TA 1537, TA 98
- Metabolic activation:
- with and without
- Metabolic activation system:
- S9 fraction from the liver of Aroclor 1254 treated male Sprague-Dawley rats
- Test concentrations with justification for top dose:
- 1st Experiment:
Strains: TA 100, TA 98
Doses : 0, 20 , 100, 500, 2500 and 5000 µg/plate
2nd Experiment :
Strains : TA 1535, TA 100, TA 1537, TA 98
Doses : 0, 4, 20, 100, 500 and 1000 µg/plate
3rd Experiment :
Strains : TA1535, TA100, TA1537, TA98
Doses: PIT ; all tester strains:
0, 0.8, 4, 20, 100 and 500 µg/plate - Vehicle / solvent:
- DMSO
Controls
- Untreated negative controls:
- no
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Positive control substance:
- other: see "Details on test system and conditions"
- Details on test system and experimental conditions:
- METHOD OF APPLICATION:
A standard plate test and a preincubation test were conducted, both with and without metabolic activation (S9 mix). Each test was conducted in triplicates.
STANDARD PLATE TEST:
The experimental procedure is based on the method of Ames et al. (Mut. Res. 31: 347-364, 1975):
Test tubes containing 2 ml portions of soft agar which consists of 100 ml agar (0.6% agar + 0.6% NaCl) and 10 ml amino acid solution (minimal amino acid solution for the determination of mutants: 0.5 mM histidine + 0.5 mM biotin) are kept in a water bath at 45°C and the remaining components are added in the following order:
0.1 ml test solution
0.1 ml bacterial suspension
0.5 ml S-9 mix (in tests with metabolic activation)
or
0.5 ml phosphate buffer (in tests without metabolic activation)
After mixing, the samples are poured onto Vogel-Bonner agar plates (minimal glucose agar plates) within approx. 30 seconds.
PREINCUBATION TEST:
The experimental procedure is based on the method described by Yahagi et al. (Mut. Res. 48: 121-130, 1977) and Matsushima et al. (Factors modulating mutagenicity in microbial tests. In: Norpoth, K.H. and R.C. Garner, Short-Term Test Systems for Detecting Carcinogens. Springer Verlag Berlin, Heidelberg, New York, 1980):
0.1 ml test solution, 0.1 ml bacterial suspension and 0.5 ml S-9 mix are incubated at 37°C for the duration of 20 minutes. Subsequently, 2 ml of soft agar is added and, after mixing, the samples are poured onto the Vogel-Bonner agar plates within approx. 30 seconds.
Composition of the minimal glucose agar:
980 ml aqua dest.
20 ml Vogel-Bonner E medium
15 g Difco bacto agar
20 g D-glucose monohydrate.
After incubation at 37 °C for 48 hours in the dark, the bacterial colonies (his+ revertants) are counted.
CONTROLS:
- Negative control:
Parallel with each experiment with and without S-9 mix, a negative control (with vehicle DMSO) is carried out for each tester strain in order to determine the spontaneous mutation rate.
- Positive controls:
with S-9 mix: - 10 µg/plate 2-aminoanthracene (2-AA, dissolved in DMSO) for the strains TA 100, TA 98, TA 1537 and TA 1535
without S-9 mix: - 5 µg/plate N-methyl-N´-nitro-N-nitrosoguanidine (MNNG, dissolved in DMSO) for the strains TA 100 and TA 1535 - 10 µg/plate 4-nitro-o-phenylendiamine (NPD, dissolved in DMSO) for the strain TA 98 - 100 µg/plate 9-aminoacridine (AAC, dissolved in DMSO) for the strain TA 1537
TITER DETERMINATION:
In general, the titer is determined only in the experiments with S-9 mix both without test substance (solvent only) and after adding the two highest amounts of substance. For this purpose, 0.1 ml of the overnight cultures is diluted to 1 x 10exp-6 in each case. Test tubes containing 2 ml portions of soft agar containing maximal amino acid solution (5 mM histidine + 0.5 mM biotin) are kept in a water bath at 45 °C, and the remaining components are added in the following order:
0.1 ml solvent (without and with test substance)
0.1 ml bacterial suspension (dilution: 1 x 10exp-6)
0.5 ml S-9 mix
After mixing, the samples are poured onto the Vogel-Bonner agar plates within approx. 30 seconds. After incubation at 37°C for 48 hours in the dark, the bacterial colonies are counted. - Evaluation criteria:
- In general, a substance to be characterized as positive in the Ames test has to fulfill the following requirements:
- doubling of the spontaneous mutation rate (control)
- dose-response relationship
- reproducibility of the results.
Results and discussion
Test results
- Species / strain:
- S. typhimurium TA 1535, TA 1537, TA 98 and TA 100
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- other: A bacteriotoxic effect was observed depending on the strain and test conditions at doses >= 500 µg/plate.
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Additional information on results:
- ADDITIONAL INFORMATION ON CYTOTOXICITY:
A bacteriotoxic effect (reduced his background growth, decrease in the number of his+ revertants was observed depending on the strain and test cond itions at doses >= 500 µg/plate . - Remarks on result:
- other: strain/cell type: Salmonella typhimurium strains TA 1535, TA 100, TA 1537, TA 98
- Remarks:
- Migrated from field 'Test system'.
Any other information on results incl. tables
Mutagenicity data:
Standard Plate Test 1
Maximum number of his+ revertants/plate (mean +/- SD):
strain control treatment (conc. in µg/plate)
-S9 +S9 -S9 +S9
---------------------------------------------------------
TA100 126+/-7 118+/-10 126+/-12 (20) 146+/-12 (20)
TA98 25+/-2 41+/-2 24+/-3 (500) 39+/-5 (20)
Standard Plate Test 2
Maximum number of his+ revertants/plate (mean +/- SD):
strain control treatment (conc. in µg/plate)
-S9 +S9 -S9 +S9
---------------------------------------------------------
TA100 106+/-6 129+/-3 135+/-5 (100) 143+/-10 (4)
TA98 22+/-3 38+/-4 27+/-2 (4) 39+/-4 (4)
TA1535 14+/-2 16+/-6 17+/-3 (500) 17+/-4 (100)
TA1537 11+/-7 12+/-2 13+/-3 (20) 12+/-3 (100)
Preincubation Test
Maximum number of his+ revertants/plate (mean +/- SD):
strain control treatment (conc. in µg/plate)
-S9 +S9 -S9 +S9
---------------------------------------------------------
TA100 111+/-6 105+/-5 119+/-12 (100) 136+/-7 (100)
TA98 31+/-1 35+/-5 29+/-4 (4) 39+/-2 (0.8)
TA1535 17+/-3 15+/-2 22+/-3 (100) 18+/-4 (20)
TA1537 9+/-2 11+/-1 14+/-4 (0.8) 10+/-2 (4)
The positive controls showed the expected increase in his+ revertants/plate.
Data for the pos. controls: his+ revertants/plate (mean +/- SD):
Standard Plate Test 1
strain pos. control
-S9 +S9
---------------------------------
TA100 1523+/-84 1723+/-204
TA98 1243+/-140 1607+/-108
Standard Plate Test 2 Preincubation Test
strain pos. control pos. control
-S9 +S9 -S9 +S9
------------------------------------------------------
TA100 1197+/-127 1105+/-85 675+/-10 1133+/-341
TA98 794+/-35 1132+/-133 1197+/-120 1437+/-59
TA1535 1260+/-10 200+/-67 814+/-49 170+/-33
TA1537 464+/-95 265+/-34 1197+/-55 116+/-9
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