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EC number: 204-846-3 | CAS number: 127-51-5
- 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
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- data is from peer reviewed journals
Data source
Reference
- Reference Type:
- publication
- Title:
- Local Lymph Node Data for the Evaluation of Skin Sensitization Alternatives: A Second Compilation
- Author:
- Petra S. Kern, G. Frank Gerberick, Cindy A. Ryan, Ian Kimber, Aynur Aptula, and David A. Basketter
- Year:
- 2 010
- Bibliographic source:
- Dermatitis, Vol 21, No 1 (January/February), 2010: pp 8–32
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay)
- Principles of method if other than guideline:
- To evaluate the potential of test chemical for inducing allergic contact dermatitis
- GLP compliance:
- not specified
- Type of study:
- mouse local lymph node assay (LLNA)
Test material
- Reference substance name:
- 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
- EC Number:
- 204-846-3
- EC Name:
- 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
- Cas Number:
- 127-51-5
- Molecular formula:
- C14H22O
- IUPAC Name:
- 3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
- Test material form:
- liquid
- Details on test material:
- - Name of test material : 3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
- Common name : alpha-isomethyl ionone
- Molecular formula : C14H22O
- Molecular weight : 206.327 g/mol
- Smiles notation : C1([C@@H](\C=C(\C(C)=O)C)C(=CCC1)C)(C)C
- InChl : 1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+
- Substance type : Organic
- Physical state : Liquid
Constituent 1
In vivo test system
Test animals
- Species:
- mouse
- Strain:
- CBA
- Sex:
- female
- Details on test animals and environmental conditions:
- TEST ANIMALS
- Age at study initiation: 7-12 weeks
Study design: in vivo (LLNA)
- Vehicle:
- other: ethanol:diethyl phthalate
- Concentration:
- 25µl of the test material in ethanol:diethyl phthalate
- No. of animals per dose:
- Groups of female CBA mice (7-12 weeks of age)
- Details on study design:
- MAIN STUDY
ANIMAL ASSIGNMENT AND TREATMENT
- Name of test method: LLNA
- Criteria used to consider a positive response:
A substance was classified as a skin sensitizer if it induced a threefold or greater increase in local lymph node proliferative activity at one or more test concentrations when compared with concurrent vehicle-treated controls (SI≥3). Dose response data were used to measure the relative skin sensitization potency of all of the chemicals that were positive. When the LLNA dose-response curve included concentrations that induced at least one SI greater than 3 and one SI less than 3, EC3 values were calculated by linear interpolation. For chemicals that induced an SI greater than or equal to 3 at all concentrations tested, an EC3 value was extrapolated from the two lowest doses used. For this extrapolation method to work, a dose response should be evident. The relative sensitizing potencies of the chemical allergens were categorized via a recently proposed arbitrary classification scheme.
TREATMENT PREPARATION AND ADMINISTRATION: groups of CBA female mice (7–12 weeks of age) were exposed topically on the dorsum of both ears to 25 µL of test material or to an equal volume of the relevant vehicle alone. Treatment was performed daily for 3 consecutive days. Five days after the initiation of exposure, all mice were injected via the tail vein with 250 µL of phosphate buffered saline (PBS) containing 20 µCi of tritiated thymidine. Mice were sacrificed 5 hours later, and the draining auricular lymph nodes were excised and pooled for each experimental group or each individual animal. The incorporation of tritiated thymidine measured by beta scintillation counting was reported in disintegrations per minute (dpm). A stimulation index (SI) was calculated for each chemical-treated group as the ratio of the dpm of the treated group (or mean dpm when individual animals were assessed) to the dpm or mean dpm of the concurrent vehicle control group. - Positive control substance(s):
- not specified
Results and discussion
In vivo (LLNA)
Results
- Parameter:
- EC3
- Value:
- 21.8
- Test group / Remarks:
- test group
- Remarks on result:
- other: positive sensitizer
Any other information on results incl. tables
Table: Chemical Structures, Molecular Weights, LLNA Data, Potency Categorizations, and Reaction Mechanistic Domains
CAS |
Vehicle |
LLNA% |
LLNA% |
LLNA% |
LLNA% |
LLNA% |
LLNA SI |
LLNA SI |
LLNA SI |
LLNA SI |
LLNA SI |
LLNA EC3 |
Relative Potency |
Reaction mechanism domain |
6485-40-1 |
E:D |
2.5 |
5.0 |
10.0 |
25.0 |
50.0 |
0.6 |
0.6 |
1.5 |
3.4 |
4.6 |
21.8 |
Weak |
MA |
E:D –ethanol:diethyl phthalate; LLNA – Local lymph node assay (LLNA% = weight per volume concentration); EC3 – Mathematically estimated concentration of the test chemical necessary to induce a threefold stimulation index; MA –Michaels acceptor
**value is estimated
Applicant's summary and conclusion
- Interpretation of results:
- other: sensitizing
- Conclusions:
- The relative potency index of test chemical was calculated to be 21.8.
Based on the relative potency index, test chemical was considered to be a weak sensitizer. - Executive summary:
The dermal sensitization potential of test chemical was evaluated in a mouse local lymphnode assay(LLNA). The study was performed as per OECD 429 Guidelines. Groups of female CBA mice (7-12 weeks of age) were exposed topically on the dorsum of both ears to 25µl of the test material in ethanol:diethyl phthalate or to an equal volume of ethanol:diethyl phthalate only. Treatment was performed daily for 3 consecutive days.Five days after the initiation of exposure, all mice were injected via the tail vein with 250 µL of phosphate buffered saline (PBS) containing 20 µCi of tritiated thymidine. Mice were sacrificed 5 hours later, and the draining auricular lymph nodes were excised and pooled for each experimental group or each individual animal. The incorporation of tritiated thymidine measured by beta scintillation counting was reported in disintegrations per minute (dpm). A stimulation index (SI) was calculated for each chemical-treated group as the ratio of the dpm of the treated group (or mean dpm when individual animals were assessed) to the dpm or mean dpm of the concurrent vehicle control group.The approach to estimation of the relative skin sensitization potential was based on the mathematical estimation of the concentration of chemical necessary to obtain a threshold positive response (SI = 3); this is termed as the EC3 value.A substance was classified as a skin sensitizer if it induced a threefold or greater increase in local lymph node proliferative activity at one or more test concentrations when compared with concurrent vehicle-treated controls (SI≥3).
The relative potency index of test chemical was calculated to be 21.8.
Based on the relative potency index, test chemical was considered to be weak sensitizer.
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