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EC number: 695-097-5 | CAS number: 15789-90-9
- 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:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 005
- Report date:
- 2005
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay)
- 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
- Reference substance name:
- Reference substance 001
- Cas Number:
- 127-51-5
Constituent 1
Constituent 2
- Specific details on test material used for the study:
- Name: Alpha isomethyl ionone
Colourless liquid
Lot: 2004134-0008
CTL reference: Y13054/001
Expiry date: 12.09.2006
Purity: 97%
Storage conditions: Ambient temperature in the dark
In vivo test system
Test animals
- Species:
- mouse
- Strain:
- CBA/Ca
- Remarks:
- CBA/Ca/Ola/Hsd
- Sex:
- female
- Details on test animals and environmental conditions:
- Female Mouse CBA/Ca/Ola/Hsd
Harlan Interfauna UK Limited, Blackthrone, Bicester, Oxonm UK
4 per group
Young adults from 8 to 12 weeks of age
4 mice per cage maximum
Temperature: 22 +/-3°C
Relative humidity 30-70%
Air: Minimum of 15 changes per hour
Light cycle: Artificial, giving 12 hours light, 12 hours dark
Diet: RM1 supplied by Special Diet Services Limited, Witham, Essex, UK
Water: automatic system ad libitum
Acclimatation 5 days prior start of dosing
Study design: in vivo (LLNA)
- Vehicle:
- other: EtOH/DEP (1:3)
- Concentration:
- 2.5%, 5%, 10%, 25% and 50% in EtOH:DEP (1:3)
- No. of animals per dose:
- 4 female per dose
- Details on study design:
- volume of approximately 25 ul of 5 different concentrations of test material (%v/v) in a vehicle of 1:3 ethanol:diethyl phthalate was applied topically to the dorsum of each ear lobe (left and right) on three consecutive days. Three days after the third topical application all mice were injected intravenously into a tail vein with 250 ul of phosphate buffered saline (PBS) containing approximately 20 uCi of a 2.0Ci/mmol specific activity [3]H-methyl thymidine. Approximately 5 hours after the intravenous injection, the animals were sacrificed, the draining auricular lymph nodes excised and pooled per group (8 nodes per group). Single cell suspensions of lymph node cells were prepared by mechanical disintegration of pooled lymph nodes by passing through 200-mesh stainless steel gauze. 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, precipitated overnight at 4° C, then cells were pelleted by centrifugation and resuspended in TCA. The proliferative capacity of pooled lymph node cells was determined by the incorporation of [3]H-methyl thymidine measured in a B-scintillation counter as disintegrations per minute (DPM). DPM per node for test material relative to controls was defined as the stimulation index (SI). Test material was regarded as a sensitizer in the LLNA if one or more concentrations of the test material elicited a 3-fold or greater increase in isotope incorporation relative to the vehicle control group (SI>/= 3.0).
- Positive control substance(s):
- hexyl cinnamic aldehyde (CAS No 101-86-0)
- Statistics:
- The estimated concentration of the test material required to produce a 3-fold increase in the draining lymph node cell proliferative activity (EC3) was calculated by interpolating between two SI points using the following equation; EC3 = [(3 – d)/(b – d)] x (a – c) + c, where a = concentration with SI immediately above 3, b = SI of a, c = concentration with SI immediately below 3, and d = SI of c. EC3 values less than 0.1% were considered as the strongest sensitizers, the weaker sensitizers have a range of EC3 values of 1-10%, and non-sensitizers have EC3 values greater than 100% (Basketter, 2000; Gerberick, 2001).
Results and discussion
- Positive control results:
- The application of hexyl cinnamaldehyde at concentrations of 5%, 10%, and 25% w/v in acetone/olive oil (4:1) resulted in a greater than 3-fold increase inisotope incorporation at both 10% and 25% concentrations. Therefore, hexyl cinnamaldehyde was shown to ba a skin sensitiser, confirming the validity of the protocol used for the study.
In vivo (LLNA)
Results
- Key result
- Parameter:
- EC3
- Value:
- 21.8
- Cellular proliferation data / Observations:
- see table below
Any other information on results incl. tables
Cell proliferation results:
Concentration of test substance (%w/v) | number of lymph nodes assayed | DPM | DPM per lymph node | SI |
0 | 8 | 3254 | 407 | N/A |
2.5 | 8 | 1997 | 250 | 0.6 |
5 | 8 | 2012 | 252 | 0.6 |
10 | 8 | 4848 | 606 | 1.5 |
25 | 8 | 11008 | 1376 | 3.4 |
50 | 8 | 14974 | 1872 | 4.6 |
Applicant's summary and conclusion
- Interpretation of results:
- Category 1B (indication of skin sensitising potential) based on GHS criteria
- Conclusions:
- In conclusion, Alpha isomethyl ionone diluted in vehicle 1:3 EtOH:DEP is likely to be a skin sensitiser underthe conditions of the test. The EC3 value was calculated to be 21.8% w/v (5450 μg/cm2).
- Executive summary:
The Local Lymph Node Assay was conducted in female mice. Each animal received a daily topical application of 2.5%, 5%, 10%, 25% or 50% (w/v) alpha-iso-methylionone in EtOH : DEP (3:1) on the dorsal surface of each ear for 3 consecutive days. Three days after the third topical application all mice were injected intravenously through the tail vein with 250 μl sterile saline (PBS) containing 20 μCi 3Hmethylthymidine (3H-thymidine). All mice were sacrificed five hours after the intravenous injection. Draining auricular lymph nodes were excised and were pooled for each experimental group. 3H-TdR incorporation was then measured by beta-scintillation counting and stimulation indices were determined for each experimental group. alpha-iso-Methylionone was considered to be a potential sensitizer under the conditions of the test with an EC3 value of 21.8% (5450 μg/cm2).
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