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EC number: 282-823-7 | CAS number: 84434-23-1
- 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
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in vivo (LLNA)
- Type of information:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- June 16, 2006 to June 27, 2006
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- A valid study is available for the analogue substance 3-(4-tert-butylphenyl)propionaldehyde. It is a GLP compliant study conducted in compliance with agreed protocols, with no or minor deviations from standard testing guidelines. The read-across is considered to be suitable based on the structural and “mechanistic action” similarities between the target substance (3-(4-tert-butylphenyl)acrylaldehyde) and source substance (3-(4-tert-butylphenyl)propionaldehyde) and their similar physico-chemical properties.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 006
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 870.2600 (Skin Sensitisation)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- mouse local lymph node assay (LLNA)
Test material
- Reference substance name:
- 3-(4-tert-butylphenyl)propionaldehyde
- EC Number:
- 242-016-2
- EC Name:
- 3-(4-tert-butylphenyl)propionaldehyde
- Cas Number:
- 18127-01-0
- IUPAC Name:
- 3-(4-tert-butylphenyl)propanal
- Test material form:
- other: liquid
- Details on test material:
- - Name of test material (as cited in study report): Bourgeonal
- Physical state: liquid
- Analytical purity: Not specified
- Lot/batch No.: 02759TT
- Expiration date of the lot/batch: Not specified
- Molecular formula (if other than submission substance): C13H18O
- Molecular weight (if other than submission substance): 190.2814
- Smiles notation (if other than submission substance): CC(C)(C)c1ccc(CCC=O)cc1
- InChl (if other than submission substance): InChI=1/C13H18O/c1-13(2,3)12-8-6-11(7-9-12)5-4-10-14/h6-10H,4-5H2,1-3H3
- Structural formula attached as image file (if other than submission substance): see Fig. 1
Constituent 1
In vivo test system
Test animals
- Species:
- mouse
- Strain:
- CBA
- Sex:
- female
- Details on test animals and environmental conditions:
- TEST ANIMALS
- Source: Harlan UK Limited, Shaw's Farm, Blackthorne, Bicester, Oxon, UK
- Age at study initiation: Young adults (8-12 weeks old)
- Weight at study initiation: Ranged from 16.6 to 20.6 g
- Housing: maximum of 4 mice housed per cage, in cages suitable for animals of this strain and weight range. Environmental enrichment provided included tents, bases and nestlets.
- Diet (e.g. ad libitum): RM1, supplied by Special Diet Services Limited, Witham, Essex, UK.
- Water (e.g. ad libitum): From mains supply
- Acclimation period: At least 5 day sprior to start of dosing.
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 22 ± 3 °C
- Humidity (%): 30-70%
- Air changes (per hr): Minimum of 15 changes per hour
- Photoperiod (hrs dark / hrs light): Artificial light, giving 12 hours light, 12 hours dark.
IN-LIFE DATES: From: June 21, 2006 To: June 27, 2006
Study design: in vivo (LLNA)
- Vehicle:
- other: 1:3 Ethanol/ Diethylphthalate
- Concentration:
- 1, 2.5, 5, 10 and 25 % w/v
- No. of animals per dose:
- 4
- Details on study design:
- MAIN STUDY
ANIMAL ASSIGNMENT AND TREATMENT
- Criteria used to consider a positive response: The results are expressed as disintegrations per minute (dpm) per group. The activity of each test group is then divided by the activity of the vehicle control group to give a test: control ratio known as the stimulation index (SI) for each concentration. The criterion for a positive response is that one or more concentrations of the test substance should elicit a 3-fold or greater increase in isotope incorporation relative to the vehicle control group. The assay is able to identify those materials that elicit responses in a standard Magnusson and Kligman maximisation guinea pig test for sensitisation. Consequently, a test substance which does not fulfil the criterion is designated as unlikely to be a skin sensitiser.
TREATMENT PREPARATION AND ADMINISTRATION: Groups of four female mice were used for this study. Approximately 25 µL of a 1, 2.5, 5, 10 or 25 % w/v preparation of the test substance in 1:3 EtOH: DEP was applied, using a variable volume micro-pipette, to the dorsal surface of each ear. A vehicle control group was similarly treated using 1:3 EtOH:DEP alone. The procedure was repeated daily for 3 consecutive days.
Three days after final application, all the animals were injected, via the tail vein, with approximately 250 µL of phosphate buffered saline (PBS) containing 20 µCi of a 2.0 Ci/mmol Specific activity 3H-methyl thymidine. Approximately 5 hours later, the animals were humanely killed by inhalation of halothane followed by cervical dislocation. The draining auricular lymph nodes were removed from each animal, and together with the nodes from the other animals in the group, were placed in a container with PBS.
A single cell suspension was prepared by mechanical disaggregation of lymph nodes through 200-mesh stainless steel gauze. The cell suspensions were then washed three times by centrifugation with approximately 10 mL of PBS. Approximately 3 mL of 5 % w/v trichloroacetic acid (TCA) was added and after, overnight precipitation at 4 °C, the samples were pelleted by centrifugation and the supernatant was discarded. The cells were then resuspended in approximately 1 mL of TCA.
The lymph node suspensions were transferred to scintillation vials and 10mL of scintillant (Optiphase) was added prior to ß-scintillation counting using a Packard Tri-Carb 3100TR Liquid Scintillation Counter. - Positive control substance(s):
- hexyl cinnamic aldehyde (CAS No 101-86-0)
Results and discussion
- Positive control results:
- In a positive control study, hexylcinnamaldehyde was shown to have the capacity to cause skin sensitisation when applied as a 25 % (w/v) preparation in acetone: olive oil (4:1), confirming the validity of the protocol used for this study.
The reliability assessment of the protocol using a positive control was conducted between January 25, 2006 and January 31, 2006.
In vivo (LLNA)
Resultsopen allclose all
- Parameter:
- SI
- Remarks on result:
- other: see Remark
- Remarks:
- Concentration of test substance (% w/v) Stimulation index (SI) 0 (vehicle only) N/A 1 0.9 2.5 1.4 5 3.6 10 4.2 25 9.8
- Parameter:
- other: disintegrations per minute (DPM)
- Remarks on result:
- other: see Remark
- Remarks:
- Concentration of test substance (% w/v) Disintegrations per minute (dpm) Dpm per lymph node 0 (vehicle only) 4538 567 1 3930 491 2.5 6293 787 5 16372 2047 10 18948 2369 25 44444 5556
Any other information on results incl. tables
Analogue Approach Justification:
- See attached “Justification for read-across” document for full details.
- In summary, important considerations for the use of read-across for skin sensitisation are: i) 3-(4-tert-butylphenyl)acrylaldehyde (the target substance) has similar predicted physico-chemical properties to those predicted and experimentally determined for 3-(4-tert-butylphenyl)propionaldehyde (the source substance), ii) there are structural similarities between the two chemicals and iii) the OECD QSAR Toolbox indicates that the two substances are expected to have similar interactions with biological receptors.
The information reported in this summary is included to demonstrate comparability between the source (3-(4-tert-butylphenyl)propionaldehyde) and target (3-(4-tert-butylphenyl)acrylaldehyde) substance.
Applicant's summary and conclusion
- Interpretation of results:
- sensitising
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The test material has the capacity to cause skin sensitisation when applied as dose levels of 5, 10 and 25 % w/v preparations in 1:3 EtOH:DEP. The EC3 value giving rise to a three-fold increase in lymphocyte proliferation was calculated to be 4.3 % w/v (1075 µg/cm²).
- Executive summary:
The test material, was tested for potential skin sensitisation according to OECD guideline 429.
The application of the test substance at concentrations of 1, 2.5, 5, 10 and 25 % w/v in 1:3 EtOH:DEP resulted in an isotope incorporation, which was greater than 3 -fold at the 5, 10 and 25 % w/v concentrations. Consequently, the test substance is likely to be a skin sensitiser under the conditions of the test. The concentration giving rise to a 3 -fold increase in lymphocyte proliferation (EC3) was calculated to be 4.3 % w/v (1075 µg/cm²).
The application of a positive control, hexylcinnamaldehyde, at concentrations of 5 %, 10 % and 25 % w/v in acetone:olive oil (4:1) resulted in greater than 3 -fold increase in isotope incorporation at the 25 % w/v concentration. Therefore, hexylcinnamaldehyde was shown to be a skin sensitiser, confirming the validity of the protocol used for the study.
In conclusion, the test material in 1:3 EtOH:DEP vehicle is a skin sensitiser under the conditions of the test with an EC3 value of 4.3 % (1075 µg/cm²).
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