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EC number: 942-741-0 | 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
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:
- From July 29 to August 11, 2004
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: see 'Remark'
- Remarks:
- GLP study conducted similarly to OECD 429 Guideline with deviations: no ear thickness measurement; no range-finding test was performed. However, no sign or irritation or systemic toxicity were observed at the concentration giving a SI above 3. The supporting substance was only tested up to 50% without jutification, however it could be explained by the classification of the substance as skin irritant. The supporting substance is considered adequate for read-across purpose as data relates to one of the two isomers of the registered substance (see Iuclid section 13 for additional justification).
Cross-referenceopen allclose all
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 005
- Report date:
- 2005
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:
- not tested up to 100% but at up to 50% with no justification, no data reported on clinical observations and local skin irritations and no preliminary study performed, no ear thickness measurement unless the absence of preliminary study
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 870.2600 (Skin Sensitisation)
- Deviations:
- yes
- Remarks:
- same as above
- Principles of method if other than guideline:
- Not applicable
- GLP compliance:
- yes
- 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:
- other: Liquid
- Details on test material:
- - Physical state: Colourless liquid
- Storage condition of test material: Stored at ambient temperature in the dark.
Constituent 1
In vivo test system
Test animals
- Species:
- mouse
- Strain:
- other: CBA/Ca/Ola/Hsd
- Sex:
- female
- Details on test animals and environmental conditions:
- TEST ANIMALS
- Source: Harlan Interfauna UK Limited, Blackthorne, Bicester, Oxon, UK
- Age at study initiation: 8-12 weeks
- Weight at study initiation: 16.8-20.6 g
- Housing: Four animals were housed per cage.
- Diet: RM1 (supplied by Special Diet Services Limited, Witham, Essex, UK), ad libitum
- Water: Mains water (supplied by an automatic system), ad libitum
- Acclimation period: At least 5 days
ENVIRONMENTAL CONDITIONS
- Temperature: 22 ± 3 °C
- Humidity: 30-70 %
- Air changes: A minimum of 15 changes/h
- Photoperiod: 12 h dark/ 12 h light
IN-LIFE DATES: From: August 04, 2004 To: August 11, 2004
Study design: in vivo (LLNA)
- Vehicle:
- other: ethanol:diethyl phthalate (1:3)
- Concentration:
- 2.5, 5, 10, 25 and 50 % w/v in 1:3 ethanol:diethyl phthalate
- No. of animals per dose:
- 4 females/dose
- Details on study design:
- MAIN STUDY
ANIMAL ASSIGNMENT AND TREATMENT
- Name of test method: Local Lymph Node Assay
- Criteria used to consider a positive response: The criterion for a positive response is that one or more concentrations of the test material should elicit a 3-fold or greater increase in isotope incorporation relative to the vehicle control group. A test material which does not fulfil the above criterion is designated as unlikely to be a skin sensitiser.
TREATMENT PREPARATION AND ADMINISTRATION:
- All dose preparations were used within 24 h of preparation. Approximately 25 µL of control or test material were applied to the dorsal surface of both ears daily for 3 consecutive days. Three days after the third application, all animals were injected via the tail vein with 250 µL of phosphate buffered saline (PBS) containing 20 µCi of a 2 Ci/mmol specific activity 3H-methyl thymidine. Approximately 5 h later, all animals were killed and the draining auricular lymph nodes were removed from each animal, together with the nodes from the other animals in the group in 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 10 mL of scintillant (Optiphase) was added prior to β-scintillation counting using a Packard Tri-Carb Liquid Scintillation Counter. Disintegrations per minute (DPM) values were presented for each dose group. EC3 value was calculated as percentage dose and µg/cm2. - Positive control substance(s):
- hexyl cinnamic aldehyde (CAS No 101-86-0)
- Statistics:
- None
Results and discussion
- Positive control results:
- Stimulation index for positive control group treated with 10 and 25 % w/v of hexylcinnamicaldehyde in acetone: olive oil (4:1) was found to be 3.3 and 10.9 respectively; classified as skin sensitiser.
In vivo (LLNA)
Resultsopen allclose all
- Parameter:
- SI
- Remarks on result:
- other: Stimulation index for test material at 2.5, 5, 10, 25 and 50 % w/v were 0.6, 0.6, 1.5, 3.4 and 4.6, respectively.
- Parameter:
- other: disintegrations per minute (DPM)
- Remarks on result:
- other: DPM/group for 0 (vehicle), 2.5, 5, 10, 25 and 50 % w/v were 3254, 1997, 2012, 4848, 11008 and 14974, respectively.
Any other information on results incl. tables
- Body weight: The mean body weight of positive control and treatment group animals was comparable to that of the vehicle control group.
- EC3 value: The EC3 value calculated for the test material was found to be 21.8 % w/v (5450 µg/cm2).
Applicant's summary and conclusion
- Interpretation of results:
- sensitising
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- Under the test conditions, test material is classified as “Category 1” skin sensitiser according to the annex VI of the Regulation EC No. 1272/2008 (CLP).
- Executive summary:
In a Local Lymph Node Assay (LLNA) performed similarly to OECD Guideline 429 and in compliance with GLP, groups of female CBA/Ca/Ola/Hsd mice (4 females/group) were topically applied with test material at the dose concentrations of 2.5, 5, 10, 25 and 50 % w/v in 1:3 ethanol:diethyl phthalate on the dorsal surface of both ears (25 µL/ear) daily for three consecutive days. A vehicle control group was treated using 1:3 ethanol:diethyl phthalate alone and a positive control group was treated with α-hexylcinnamaldehyde at the dose concentration of 5, 10 and 25 % w/v in acetone:olive oil (4:1) in same manner to confirm the sensitivity and reliability of the test method. On Day 6, the proliferation of lymph node cells in the lymph node draining the application site was measured by incorporation of 3H-methyl thymidine and stimulation index (SI) was calculated. Body weight of individual animal was recorded prior to dosing on Day 1 and prior to injection of 3H-methyl thymidine on Day 6.
Body weight of positive control and treatment group animals was comparable to that of the vehicle control group. Mean DPM / animal for 0 (vehicle), 2.5, 5, 10, 25 and 50 % w/v were 3254, 1997, 2012, 4848, 11008 and 14974, respectively. Stimulation Index (SI Value) calculated for test material treated groups was found to be 0.6, 0.6, 1.5, 3.4 and 4.6 for the dose concentrations of 2.5, 5, 10, 25 and 50 % w/v, respectively.
The EC3 value calculated for the test material was found to be 21.8 % w/v (5450 µg/cm2).
Stimulation index for positive control group treated with 10 and 25 % w/v of hexylcinnamicaldehyde in acetone: olive oil (4:1) was found to be 3.3 and 10.9, respectively. Therefore, hexylcinnamaldehyde was shown to be a skin sensitiser and confirming the validity of the study.
Under the test conditions,test material is classified as “Category 1” skin sensitiser according to the annex VI of the Regulation EC No. 1272/2008 (CLP).
This study is considered as acceptable and satisfies the requirement for sensitisation endpoint. The supporting substance is considered adequate for read-across purpose as data relates to one of the two isomers of the registered substance (see Iuclid section 13 for additional justification).
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