Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Diss Factsheets
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 939-420-2 | CAS number: -
- 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: other: reverse gene mutation
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2002
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 002
- Report date:
- 2002
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:
- EPA OPPTS 870.5100 - Bacterial Reverse Mutation Test (August 1998)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method B.13/14 (Mutagenicity - Reverse Mutation Test Using Bacteria)
- Deviations:
- no
- Principles of method if other than guideline:
- Not Applicable
- GLP compliance:
- yes
- Type of assay:
- other: To evaluate the ability to induce reverse mutations either in the presence or absence of mammalian microsomal enzymes
Test material
- Reference substance name:
- Reaction mass of 2,6-dimethylheptan-4-ol and 4,6-dimethylheptan-2-ol
- EC Number:
- 939-420-2
- Molecular formula:
- C9H20O
- IUPAC Name:
- Reaction mass of 2,6-dimethylheptan-4-ol and 4,6-dimethylheptan-2-ol
- Details on test material:
- Sponsor’s Identification: Diisobutyl Carbinol
Lot No. 7897
Sample Record No. 90008
Date Received: January 29, 2002
Physical Description: Transparent, colorless liquid
Storage Conditions: Ambient temperature
Molecular Formula: C9H20O
Molecular Weight: 144.2
Purity/Characterization: 98.34 % (sum of both isomers) as determined by gas chromatography area percent, percent water (Karl Fischer
coulometric titration). Identification: infared spectroscopy (FTIR) and gas chromatographic mass spectroscopy (GC/MS).
CAS Numbers: 108-82-7 (2,6-Dimethyl-4-heptanol)
51079-52-8 (4,6-Dimethyl-2-heptanol)
Constituent 1
Method
- Target gene:
- Not applicable
Species / strain
- Species / strain / cell type:
- S. typhimurium TA 1535, TA 1537, TA 98, TA 100 and E. coli WP2
- Details on mammalian cell type (if applicable):
- The Salmonella typhimurium tester strains in use at Covance were received directly from Dr. Bruce Ames, Department of Biochemistry, University of California, Berkeley. The Escherichia coli tester strain, WP2uvrA, was received from The National Collection of Industrial Bacteria, Torrey Research
Station, Scotland (United Kingdom). - Additional strain / cell type characteristics:
- not specified
- Metabolic activation:
- with and without
- Metabolic activation system:
- S9 Metabolic Activation System
- Test concentrations with justification for top dose:
- 0.00, 6.67, 10., 33.3, 66.7, 100, 333, 337, 1000, 3330, 5000 μg DIBC/Plate
- Vehicle / solvent:
- Vehicle: dimethylsulfoxide (DMSO)
Justification of vehicle: The test article was observed to be insoluble in water at concentrations of approximately 100, 50.1, and 25.0 mg per mL. The test article was observed to form a solution in dimethylsulfoxide (DMSO) at a concentration of 99.7 mg per mL. For this reason, DMSO
(CAS# 67-68-5, Acros Organics, Lot Nos. A013154701 and A014587401) was selected as the vehicle for this study.
Controls
- Untreated negative controls:
- no
- Negative solvent / vehicle controls:
- yes
- True negative controls:
- no
- Positive controls:
- yes
- Remarks:
- in the presense and absense of S-9 mix
- Positive control substance:
- benzo(a)pyrene
- Remarks:
- Migrated to IUCLID6: 2-nitrofluorene, 2-aminoanthracene, sodium azide, ICR-191, 4-nitroquinoline-N-oxide
- Details on test system and experimental conditions:
- Rangefinding Assay
The growth inhibitory effect (cytotoxicity) of the test article to the test system was determined inorder to allow the selection of appropriate
concentrations to be tested in the mutagenicity assay.
Design.
The rangefinding study was performed using tester strains TA100 and WP2uvrA in both the presence and absence of S9 mix. Ten concentrations of test article were tested at one plate per concentration. The test article was checked for cytotoxicity up to a maximum concentrationof 5000 μg per
plate.
Rationale.
The cytotoxicity of the test article observed on tester strain TA100 is generallyrepresentative of that observed on the other Salmonella typhimurium tester strains and because of the comparatively high number of spontaneous revertants per plate observed with this strain, gradations of
cytotoxicity can be readily discerned from routine experimental variation. TheEscherichia coli tester strain WP2uvrA does not possess the rfa wall
mutation that the Salmonella typhimurium strains have and thus, a different range of cytotoxicity may be observed. Also, the cytotoxicity induced by a test article in the presence of S9 mix may vary greatly from that observed in the absence of S9 mix. Therefore, this would require that different
test article concentration ranges be tested in the mutagenicity assay based on the presence or absence of the microsomal enzymes.
Evaluation of the Rangefinding Assay.
Cytotoxicity is detectable as a decrease in the number of revertant colonies per plate and/or by a thinning or disappearance of the bacterial
background lawn. Selection of the Maximum Concentration for the Mutagenicity Assay. Cytotoxicity was observed in the rangefinding study, and
the highest concentration of test article used in the subsequent mutagenicity assay was a concentration which gave a reduction of revertants per
plate and/or a thinning or disappearance of the bacterial background lawn.
Mutagenicity Assay
Design. The assay was performed using tester strains TA98, TA100, TA1535, TA1537, and WP2uvrA both in the presence and absence of S9 mix
along with the appropriate vehicle and positive controls. The concentrations of test article were selected based on the results of the rangefinding
assay. The results of the initial mutagenicity assay were confirmed in an independent experiment.
Frequency and Route of Administration.
The tester strains were exposed to the test article via the preincubation modification of the Ames Test originally described by Yahagi et al. (1975) and
Maron and Ames (1983). This methodology has been shown to detect a wide range of classes of chemical mutagens. In the preincubation
methodology, S9 mix (or phosphate buffer, whereappropriate), the tester strain, and the test article were preincubated prior to the addition of
molten agar. The agar and the preincubation reaction mixture were mixed and then overlaid onto a minimal agar plate. Following incubation,
revertant colonies were counted. All concentrations of the test article, the vehicle controls and the positive controls were plated in triplicate (see
Protocol Deviation, page 18).
Plating Procedures
These procedures were used in both the rangefinding study and the mutagenicity assay. Eachplate was labeled with a code which identified the test
article, test phase, tester strain, activation condition and concentration level. The S9 mix and dilutions of the test article were prepared immediately
prior to their use. When S9 mix was required, 500 μL of S9 mix was added to 13 x 100 mm glass culture tubes, which had been pre-heated to
37 ± 2°C. To these tubes was added 100 μL of tester strain and 50 μL of vehicle or test article concentration. When S9 mix was not required, 500 μL of 0.1M phosphate buffer was substituted for the S9 mix. After the required components had been added, the mixture was vortexed and allowed to
incubate for 20 ± 2 minutes at 37 ± 2°C. Two mL of molten selective top agar was then added to each tube, and the mixture was vortexed and
overlaid onto the surface of 25 mL of minimal bottom agar contained in a 15 x 100 mm petri dish. After the overlay solidified, the plates were
inverted and incubated for 52 ± 4 hours at 37 ± 2°C. Positive control articles were plated using a 50 μL plating aliquot.
Scoring the Plates
Plates which were not evaluated immediately following the incubation period were held at >0°C to 10°C until such time that colony counting and
bacterial background lawn evaluation could take place. Bacterial Background Lawn Evaluation. The condition of the bacterial background lawn was
evaluated both macroscopically and microscopically (using a dissecting microscope) for indications of cytotoxicity and test article precipitate.
Evidence of cytotoxicity was scored relative to the vehicle control plate and was recorded along with the revertant counts for all plates at that
concentration level. Lawns were scored as normal (N), reduced (R), obscured by precipitate (O), macroscopic precipitate present (P), absent (A), or
enhanced (E); contaminated plates (C) also were noted.
Counting Revertant Colonies.
Revertant colonies were counted either by automated colony
counter or by hand. - Evaluation criteria:
- Assay Acceptance Criteria
Before assay data were evaluated, the criteria for a valid assay had to be met. The following criteria were used to determine a valid assay: rfa Wall
Mutation that Salmonella strain exhibited sensitivity to crystal violet. Demonstrate the presence ofpKM101 plasmid in TA98 and TA100 strains.
Number of Spontaneous Revertants in vehicle controls (TA98 8-60, TA100 60-240, TA1535 4-25, TA1537 2-25, WP2uvrA 5-40). Demonstrate that Strain Culture Density was = 0.5x109 bacteria/mL.
Results and discussion
Test resultsopen allclose all
- Species / strain:
- S. typhimurium TA 1535
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 1537
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 98
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Species / strain:
- S. typhimurium TA 100
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Species / strain:
- E. coli WP2 uvr A
- Metabolic activation:
- with and without
- Genotoxicity:
- negative
- Cytotoxicity / choice of top concentrations:
- cytotoxicity
- Vehicle controls validity:
- valid
- Untreated negative controls validity:
- not examined
- Positive controls validity:
- valid
- Additional information on results:
- Rangefinding Assay
Concentrations tested in the mutagenicity assay were selected based on the results of the rangefinding assay conducted on the test article using
tester strains TA100 and WP2uvrA in both the presence and absence of S9 mix with one plate per concentration. Ten concentrations of test
article, from 6.67 to 5000 μg per plate, were tested and the results are presented in Data Tables 1 and 2. These data were generated in Experiment
23500-A1. Cytotoxicity was observed at concentrations ≥333 μg per plate with both tester strains in the presence or absence of S9 mix as
evidenced by a decrease in the number of revertant colonies per plate and/or by a thinning or disappearance of the bacterial background lawn. No
test article precipitate was observed on any of the plates in the presence or absence of S9 mix. See Tables 1 and 2 in Results below.
Mutagenicity Assay
The preincubation mutagenicity assay results for Diisobutyl Carbinol are presented in Data Tables 3 through 7. These data were generated in
Experiments 23500-B1 and 23500-C1. The data are presented as individual plate counts (Tables 3 and 5) and as mean revertants per plate ±
standard deviation (Tables 4 and 6) for each treatment and control group. The tester strains used in the preincubation mutagenicity assay were
Salmonella typhimurium tester strains TA98, TA100, TA1535, and TA1537 and Escherichia coli tester strain WP2uvrA. The assay was conducted
with six concentrations of test article in both the presence and absence of S9 mix along with concurrent vehicle and positive controls using three
plates per concentration. Concentrations tested in the initial mutagenicity assay were selected based on the results of the rangefinding study. The
concentrations tested in the initial mutagenicity assay with all tester strains in the presence of S9 mix were 3.33, 10.0, 33.3, 100, 333, and 1000 μg
per plate. The concentrations tested in the initial mutagenicity assay with all tester strains in the absence of S9 mix were 1.00, 3.33, 10.0, 33.3, 100, and 500 μg per plate. In the initial mutagenicity assay (Experiment 23500-B1, Tables 3 and 4), all data were acceptable, and no positive increases in
the mean number of revertants per plate were observed with any of the tester strains in either the presence or absence of S9 mix. Concentrations
tested in the confirmatory assay were selected, in conjunction with the Sponsor, based on the results of the initial mutagenicity assay. The
concentrations tested in the confirmatory mutagenicity assay with all tester strains in the presence of S9 mix were 3.33, 10.0, 33.3, 100, 333, and
1000 μg per plate. The concentrations tested in the confirmatory mutagenicity assay with all tester strains in the absence of S9 mix were 1.00, 3.33, 10.0, 33.3, 100, and 500 μg per plate. In the confirmatory assay (Experiment 23500-C1, Tables 5 and 6), all data were acceptable, and no positive
increases in the mean number of revertants per plate were observed with any of the tester strains in either the presence or absence of S9 mix.
All criteria for a valid study were met. - Remarks on result:
- other: all strains/cell types tested
- Remarks:
- Migrated from field 'Test system'.
Any other information on results incl. tables
Table 1: Rangefinding Study | ||||
Experiment ID 23500 -A1 | Date Plated: 01 -Feb-02 | |||
Vehicle: DMSO | Date Counted:12 -Feb-02 | |||
TA100 Revertants Per Plate | ||||
With S9 | Without S9 | |||
ug/Plate | RevertrantsPer Plate |
Background LawnEvaluationa | RevertantsPerPlate | BackgroundLawnEvaluationa |
0.00 (Vehicle , 50uL) | 158 | N | 126 | N |
Test Article 6.67 |
115 | N | 125 | N |
10.0 | 134 | N | 134 | N |
33.3 | 116 | N | 132 | N |
66.7 | 93 | N | 133 | N |
100 | 111 | N | 136 | N |
333 | 96 | R | 0 | R |
667 | 62 | R | 0 | A |
1000 | 0 | A | 0 | A |
3330 | 0 | A | 0 | A |
5000 | 0 | A | 0 | A |
aBackground Lawn Evaluation Codes: N = normal, R = reduced, A = Absent, P = precipitate, o = obscured by percipitate |
Table 2: Rangefinding Study | ||||
Experiment ID 23500 -A1 | Date Plated: 07 -Feb-02 | |||
Vehicle: DMSO | Date Counted: 12 -Feb-02 | |||
WP2uvrA Revertants Per Plate | ||||
With S9 | Without S9 | |||
ug/Plate | RevertrantsPer Plate |
Background LawnEvaluationa | RevertantsPerPlate | BackgroundLawnEvaluationa |
0.00 (Vehicle , 50uL) | 25 | N | 23 | N |
Test Article 6.67 |
21 | N | 14 | N |
10.0 | 10 | N | 12 | N |
33.3 | 18 | N | 18 | N |
66.7 | 27 | N | 14 | N |
100 | 20 | N | 17 | N |
333 | 16 | R | 0 | R |
667 | 0 | R | 0 | R |
1000 | 0 | R | 0 | R |
3330 | 0 | A | 0 | R |
5000 | 0 | A | 0 | A |
aBackground Lawn Evaluation Codes: N = normal, R = reduced, A = Absent, P = precipitate, o = obscured by percipitate |
Applicant's summary and conclusion
- Conclusions:
- Interpretation of results (migrated information):
negative Negative - with and without S-9 metabolic activation
The results of the Salmonella-Escherichia coli/Mammalian-Microsome Reverse Mutation Assay Preincubation Method with a Confirmatory Assay
indicate that under the conditions of this study, the test article, Diisobutyl Carbinol, did not cause a positive increase in the mean number of
revertants per plate with any of the tester strains either in the presence or absence of microsomal enzymes prepared from Aroclor -induced rat
liver (S9).
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.