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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 222-782-4 | CAS number: 3612-20-2
- 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:
- 2003-05-27 to 2004-09-22
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study without detailed documentation
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 004
- Report date:
- 2004
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: SPL Standard Test Method 595.12
- Deviations:
- yes
- Remarks:
- 1) Insufficient information on the test substance, test animals, methodological details and information on results presented; 2) No positive control substance tested.
- GLP compliance:
- no
- Remarks:
- The study was conducted in a facility operating to Good Laboratory Practice within the UK national GLP monitoring programme, but the study report had not been audited by the QA Unit. No formal claim of GLP compliance is made for the study.
- Type of study:
- mouse local lymph node assay (LLNA)
Test material
- Reference substance name:
- 1-benzyl-4-piperidone
- EC Number:
- 222-782-4
- EC Name:
- 1-benzyl-4-piperidone
- Cas Number:
- 3612-20-2
- Molecular formula:
- C12H15NO
- IUPAC Name:
- 1-benzylpiperidin-4-one
- Test material form:
- liquid
- Details on test material:
- - Identification: JNJ-728195-AAA
- Physical state: liquid
- Appearance: clear yellowish liquid
Constituent 1
- Specific details on test material used for the study:
- SOURCE OF TEST MATERIAL
- Source and lot/batch No.of test material: no data
- Expiration date of the lot/batch: no data
- Purity test date: no data
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL: No data
TREATMENT OF TEST MATERIAL PRIOR TO TESTING: No data
In vivo test system
Test animals
- Species:
- mouse
- Strain:
- 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): No data
- Photoperiod (hrs dark / hrs light): No data
IN-LIFE DATES: From: 2003-05-27 To: 2003-06-30
Study design: in vivo (LLNA)
- Vehicle:
- acetone/olive oil (4:1 v/v)
- Concentration:
- 5%, 10%, 25%
- No. of animals per dose:
- Four animals per dose
- Details on study design:
- RANGE FINDING TESTS: Yes, no deaths or toxicity signs were observed at the preliminary sighting tests at concentrations of 25, 50 and 100%.
MAIN STUDY
- Name of test method: SPL Standard Test Method 595.12 (mouse local lymph node assay)
- Criteria used to consider a positive response: No data
TREATMENT ADMINISTRATION:
- Volume of treatment: 50 micrograms (25 micrograms/ear)
-Application location: topical application to dorsal surface of ear
-Control group: 4 animals iwth acetone/olive oil 4/1 alone. - Positive control substance(s):
- hexyl cinnamic aldehyde (CAS No 101-86-0)
- other: 2,4-dinitrobenzenesulfonic acid, sodium salt 1%, 10%, 20% v/v in 1% pluronic F-68 in distilled water
- Statistics:
- no data
Results and discussion
- Positive control results:
- Not applicable
In vivo (LLNA)
Resultsopen allclose all
- Parameter:
- SI
- Value:
- 3.51
- Test group / Remarks:
- 4 animals in 5 % v/v in acetone/olive oil 4:1 group
- Parameter:
- SI
- Value:
- 6.53
- Test group / Remarks:
- 4 animals in 10 % v/v in acetone/olive oil 4:1 group
- Parameter:
- SI
- Value:
- 14.26
- Test group / Remarks:
- 4 animals in 25 % v/v in acetone/olive oil 4:1 group
- Cellular proliferation data / Observations:
- CELLULAR PROLIFERATION DATA: no data
DETAILS ON STIMULATION INDEX CALCULATION: see above
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 = 4.44
with a=10, b=6.53, c=5, d=3.51
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 0.85.
- 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.
CLINICAL OBSERVATIONS: no data
BODY WEIGHTS: no data
Any other information on results incl. tables
Positive Control Local Lymph Node Assay in the Mouse (2004)
Start Date |
Finish Date |
Test Material |
Concentration |
Vehicle |
Stimulation Indexa |
Classificationb |
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 |
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 |
14/10/2004 |
26/10/2004 |
α‑Hexylcinnamaldehyde, tech., 85% |
5%, 10%, 25% v/v |
tetrahydrofuran |
1.97, 3.71, 7.82 |
Positive |
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 |
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)
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 4.44 as established using the data of this LLNA study and the method described by Ryan et al., 2007.
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.