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EC number: 247-070-0 | CAS number: 25519-78-2
- 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:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2004-02-02 to 2004-02-19
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Remarks:
- Study is performed according to an internal method; however, the test substance is not adequately characterized and insufficient information is provided on the test animals, methodology and results.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 004
- Report date:
- 2004
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay)
- Deviations:
- yes
- Remarks:
- Insufficient information on the test substance, test animals, methodological details and results. There was no positive control substance used in the study; positive control data from the CRO included in section Any other information on results
- Qualifier:
- according to guideline
- Guideline:
- other: SPL Standard Test method 595.12
- Principles of method if other than guideline:
- The study is performed according to SPL Standard Test Method 595.12.
- GLP compliance:
- no
- Remarks:
- This study was conducted in a facility operating to Good Laboratory Practice within the UK national GLP monitoring programme, but no formal claim of GLP compliance is made for this study.
- Type of study:
- mouse local lymph node assay (LLNA)
Test material
- Reference substance name:
- p-fluorophenyl 4-piperidyl ketone hydrochloride
- EC Number:
- 247-070-0
- EC Name:
- p-fluorophenyl 4-piperidyl ketone hydrochloride
- Cas Number:
- 25519-78-2
- Molecular formula:
- C12H14FNO.ClH
- IUPAC Name:
- 4-(4-fluorobenzoyl)piperidine hydrochloride
- Test material form:
- solid: particulate/powder
Constituent 1
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): T 1047
- Substance type: no data
- Physical state: no data
- Analytical purity: no data
- Purity test date: no data
- Lot/batch No.: no data
- Expiration date of the lot/batch: no data
- Stability under test conditions: no data
- Storage condition of test material: no data
- Other: no data
In vivo test system
Test animals
- Species:
- mouse
- Strain:
- other: CBA/Ca
- Sex:
- not specified
- Details on test animals and environmental conditions:
- TEST ANIMALS
- Source: no data
- Age at study initiation: no data
- Weight at study initiation: no data
- Housing: no data
- Diet (e.g. ad libitum): no data
- Water (e.g. ad libitum): no data
- Acclimation period: no data
ENVIRONMENTAL CONDITIONS
- Temperature (deg C): no data
- Humidity (%): no data
- Air changes (per hr): not applicable
- Photoperiod (hrs dark / hrs light): no data
IN-LIFE DATES: From: no data To: no data
Study design: in vivo (LLNA)
- Vehicle:
- dimethyl sulphoxide
- Concentration:
- 5%, 10% or 25% w/w in dimethyl sulphoxide
- No. of animals per dose:
- three groups, each of four animals
- Details on study design:
- RANGE FINDING TESTS:
- Compound solubility: no data
- Irritation: no data
- Lymph node proliferation response: no data
- There were no signs of systemic toxicity following a preliminary sighting test at a concentration of 25% w/w.
MAIN STUDY
ANIMAL ASSIGNMENT AND TREATMENT
- Name of test method: SPL Standard Test Method 595.12
- Criteria used to consider a positive response: Test to control ratio greater than 3.0 indicates a 'positive' result.
TREATMENT PREPARATION AND ADMINISTRATION:
Three groups of four animals were treated with 50 uL of the test material (25 uL per ear) as a solution in dimethyl sulphoxide at concentrations of 5%, 10% or 25% w/w. A further group of four animals was treated with dimethyl sulphoxide alone. - Positive control substance(s):
- hexyl cinnamic aldehyde (CAS No 101-86-0)
- other: 2,4-Dinitrobenzenesulfonic acid, sodium salt in 1% pluronic F-68 in distilled water
- Statistics:
- no data
Results and discussion
- Positive control results:
- See section Any other information on results incl. tables
In vivo (LLNA)
Resultsopen allclose all
- Parameter:
- SI
- Value:
- 3.72
- Test group / Remarks:
- 5%
- Parameter:
- SI
- Value:
- 6.92
- Test group / Remarks:
- 10%
- Parameter:
- SI
- Value:
- 8.23
- Test group / Remarks:
- 25%
Any other information on results incl. tables
Positive Control Local Lymph Node Assay in the Mouse (2004)
Project Number | Start Date | Finish Date | Test Material | Concentration | Vehicle | Stimulation Indexa | Classificationb |
039/687· | 29/04/2004 | 05/05/2004 | α‑Hexylcinnamaldehyde, tech., 85% | 5%, 10%, 25% v/v | acetone/olive oil 4:1 | 1.40, 2.23, 6.09 | Positive |
039/688* | 29/04/2004 | 05/05/2004 | α‑Hexylcinnamaldehyde, tech., 85% | 5%, 10%, 25% v/v | acetone/olive oil 4:1 | 1.74, 2.20, 8.89 | Positive |
039/719* | 14/10/2004 | 26/10/2004 | α‑Hexylcinnamaldehyde, tech., 85% | 5%, 10%, 25% v/v | tetrahydrofuran | 1.97, 3.71, 7.82 | Positive |
039/720* | 29/09/2004 | 05/10/2004 | 2,4‑Dinitrobenzenesulfonic acid, sodium salt | 1%, 10%, 20% v/v | 1% pluronic F-68 in distilled water | 1.03, 4.41, 13.55 | Positive |
039/723* | 27/10/2004 | 02/11/2004 | α‑Hexylcinnamaldehyde, tech., 85% | 10%, 25%, 50% v/v | cottonseed oil | 1.52, 2.63, 5.07 | Positive |
a= Ratio of test to control lymphocyte proliferation
b= Stimulation index greater than 3.0 indicates a positive result
* = Standard Test Method 595 (Pooled nodes)
·= Standard Test Method 599 (Individual nodes)
EC3 CALCULATION: no EC3 value could be calculated based on the classical linear method as the SI values at all concentrations were > 3
Ryan et al. (2007)* described a method for calculation of an extrapolated EC3 value based on following formula:
EC3ex = 2^{log2(c) + (3-d)/(b-d) x [log2(a)-log2(c)]}
Based on the results of this LLNA study the results are the following:
EC3ex = 4.28
with a=10, b=6.92, c=5, d=3.72
As described by Ryan et al., two aspects of data quality can affect the accuracy of potency classification of the datapoints used: the slope ratio and the value of the lowest SI obtained and the closest above 3%.
- The dose response curve location of the extrapolation datapoints was determined by calculating a ratio of the slopes between the second and third and the first and second points. A higher degree of accuracy was found in the extrapolated values derived from curves with slope ratios below 2, indicating that the use of points which lie on the linear portion of the dose response curve results in more reliable potency class estimations. A significant correlation was also found between the lowest SI value and the accuracy of EC3 values derived by the log-linear extrapolation. For this substance the slope ratio was calculated to be 0.14.
- The reliability of the extrapolated values was found to be greater when the lower SI value used in the calculation approached 3 which is the case for this substance.
Of these two parameters, it appears that the slope ratio is more important to consider.
Both conditions related to data quality have been met for this substance which means the potency calculation is considered accurate.
* Ryan CA, Chaney JG, Gerberick GF, Kern, PS, Dearman RJ, Kimber I and Basketter DA. Extrapolating Local Lymph Node Assay EC3 Values To Estimate Relative Sensitizing Potency. Cutaneous and Ocular Toxicology (2007); 26(2): 135-145.
Applicant's summary and conclusion
- Interpretation of results:
- Category 1B (indication of skin sensitising potential) based on GHS criteria
- Conclusions:
- The test item was considered to be a skin sensitiser category 1B based on the extraoplated EC3 value of 4.28% as established using the data of this LLNA study and the method described by Ryan et al., 2007.
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