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EC number: 813-120-0 | CAS number: 1262967-45-2
- 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
Endpoint summary
Administrative data
Description of key information
Skin sensitisation: Not sensitising; OECD 429; Bull, A. (2012)
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (LLNA)
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 26 July 2011 - 05 March 2012
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay)
- Version / remarks:
- 22 July 2010
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method B.42 (Skin Sensitisation: Local Lymph Node Assay)
- Version / remarks:
- Commission Regulation (EC) No 440/2008 laying down test methods pursuant to Regulation (EC) No 1907/2006 of the European Parliament and of the Council on the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH).
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of study:
- mouse local lymph node assay (LLNA)
- Specific details on test material used for the study:
- RADIOLABELLING INFORMATION (if applicable)
- Radiochemical purity: N/A
- Specific activity: N/A
- Locations of the label: N/A
- Expiration date of radiochemical substance: N/A
STABILITY AND STORAGE CONDITIONS OF TEST MATERIAL
- Storage condition of test material: Room temperature in the dark and under nitrogen.
- Stability under test conditions: Assumed stable.
- Solubility and stability of the test substance in the solvent/vehicle: Diluted in acetone:olive oil (4:1 v/v)
- Reactivity of the test substance with the solvent/vehicle of the cell culture medium: N/A.
TREATMENT OF TEST MATERIAL PRIOR TO TESTING
- Treatment of test material prior to testing: N/A
- Preliminary purification step (if any): N/A
- Final dilution of a dissolved solid, stock liquid or gel: N/A
- Final preparation of a solid: N/A
FORM AS APPLIED IN THE TEST (if different from that of starting material): Diluted in acetone:olive oil (4:1 v/v).
TYPE OF BIOCIDE/PESTICIDE FORMULATION (if applicable): N/A
OTHER SPECIFICS: No - Species:
- mouse
- Strain:
- CBA/Ca
- Sex:
- female
- Details on test animals and environmental conditions:
- TEST ANIMALS
- Source: Charles River UK Ltd
- Females (if applicable) nulliparous and non-pregnant: Not reported
- Age at study initiation: 8-12 weeks
- Weight at study initiation: 15.8-19.2 g
- Housing: Housed two animals per cage, in solid bottomed polycarbonate cages with a stainless steel mesh lid. Each cage contained a quantity of autoclaved wood flake bedding, additionally Nestlets and a plastic shelter were included for environmental enrichment.
- Diet (e.g. ad libitum):
- Water (e.g. ad libitum):
- Acclimation period:
- Indication of any skin lesions:
ENVIRONMENTAL CONDITIONS
- Temperature (°C): 19-23 ºC
- Humidity (%): 40-70 %
- Air changes (per hr):
- Photoperiod (hrs dark / hrs light): 12:12 (light:dark)
- IN-LIFE DATES: From: 08 December 2011 To: 14 December 2011 - Vehicle:
- acetone/olive oil (4:1 v/v)
- Concentration:
- 25, 50 and 100 % v/v
- No. of animals per dose:
- 4
- Details on study design:
- PRE-SCREEN TESTS:
No
- Compound solubility: A vehicle trial performed withthe test item showed that it formed a clear pale yellow liquid at 25 and 50% v/v and the test material ‘as supplied’ was a clear colourless liquid which were all satisfactory for dose administration.
- Irritation: The maximum practical concentration for dermal administration (using a micropipette) of the test substance was ‘as supplied’. Available toxicity and irritancy information indicated this would be a suitable high concentration for the study therefore no preliminary investigations were performed.
- Systemic toxicity: All animals were observed daily for signs of ill health or toxicity.
- Ear thickness measurements: The ears were examined for signs of irritation but not measured.
- Erythema scores: Not evaluated
MAIN STUDY
ANIMAL ASSIGNMENT AND TREATMENT
- Name of test method: Local Lymph Node Assay
- Criteria used to consider a positive response: Results for each treatment group were expressed as the Stimulation Index (SI). This was derived by dividing the mean dpm/mouse for each formulated treated group and the positive control group by the mean dpm/mouse in the vehicle control group and the test group dosed with the test material as supplied was derived by dividing the mean dpm/mouse with the mean value of the sham dosed control group. If the SI is 3 or more, the test substance is regarded as a skin sensitizer.
TREATMENT PREPARATION AND ADMINISTRATION:
The maximum practical concentration for dermal administration (using a micropipette) of the test substance was ‘as supplied’. Available toxicity and irritancy information indicated this would be a suitable high concentration for the study therefore no preliminary investigations were performed. The low and intermediate concentrations were selected from the concentration series given in regulatory guidelines and the concentrations administered were 25 and 50 % v/v in acetone:olive oil 4:1 and ‘as supplied’.
Groups of four mice were treated at one of three concentrations of the test substance. The mice were treated by daily application of 25 µL of the appropriate concentration of the test substance to the dorsal surface of each ear for three consecutive days (Days 1-3). The test substance was applied to the dorsal surface of each ear using an automatic micropipette and was spread over the entire dorsal surface of the ear using the tip of the pipette. Further groups of four mice received a sham dose, the vehicle alone or the positive control substance in the same manner. The sham dosed animals were used to calculate the result of animals dosed with the test material as supplied (Group 5). - Positive control substance(s):
- hexyl cinnamic aldehyde (CAS No 101-86-0)
- Positive control results:
- The SI for the positive control substance hexyl cinnamic aldehyde (HCA) was 6.9 which demonstrates the validity of this study.
- Key result
- Parameter:
- SI
- Value:
- 1.5
- Test group / Remarks:
- 25 % v/v test group. Mean of 4 individuals.
- Key result
- Parameter:
- SI
- Value:
- 1.8
- Test group / Remarks:
- 50 % w/w test group. Mean of 4 individuals.
- Key result
- Parameter:
- SI
- Value:
- 1.6
- Test group / Remarks:
- 100 % v/v test group i.e. as supplied. Mean of 4 individuals.
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- As a SI of 3 or more was not recorded for any of the concentrations tested, Tetraesters of pentaerythritol with 2-methylpropanoic acid and 3,5,5-trimethyl-hexanoic acid is not considered to have the potential to cause skin sensitization.
- Executive summary:
OECD 429 (2012) - In a dermal sensitization study with undiluted Tetraesters of pentaerythritol with 2-methylpropanoic acid and 3,5,5-trimethyl-hexanoic acid and Tetraesters of pentaerythritol with 2- methylpropanoic acid and 3,5,5-trimethyl-hexanoic acid diluted in acetone: olive oil (4:1 v/v) in young female adult mice (CBA/CaCrl) were tested using the Local Lymph Node Assay (LLNA)
Following review of available toxicity and irritancy data a concentration of 100 % was selected as the highest dose investigated in the main test. Three groups, each of five animals, were treated with 25 μL of the test item (undiluted and formulated in the vehicle) at concentrations of 100, 50 and 25 % v/v. A control group (no solution applied) and a solvent control group (acetone:olive oil, 4:1 v/v only), each containing 5 individuals, were also treated. A concurrent positive control test, using a group of five animals, was also performed with the known sensitiser, α-Hexylcinnamaldehyde at a concentration of 25 % v/v in the vehicle.
There were no signs of systemic toxicity or dermal reactions through the test period. Bodyweight increases were within normal range. The Stimulation Index, expressed as the mean radioactive incorporation for each treatment group divided by the mean radioactive incorporation of the vehicle control group, was determined for each treatment group.
The test item did not elicit a Stimulation Index ≥ 3 in any of the test item treated groups. SI values of 1.6, 1.8 and 1.5 were calculated for the 100, 50 and 25 % v/v test groups, respectively. The test item was therefore considered not to be a sensitiser under the conditions of the test.
The positive control group elicited an SI value of 6.9, indicating a positive skin sensitisation response and demonstrating the validity of the test.
In this study, Tetraesters of pentaerythritol with 2-methylpropanoic acid and 3,5,5-trimethyl-hexanoic acid was not a dermal sensitiser.
According to the criteria of European Commission Regulation 1272/2008, Reaction product of 3,5,5-trimethyl-hexanoic acid and 2-metheylpropanoic acid and pentaerythritol does not require classification or labelling, with regards to skin sensitisation.
Reference
Table1 Group dpm/node and Stimulation Index
Concentration |
dpm |
Number of lymph nodes per group |
dpm/node |
Stimulation index* |
Result + = positive - = negative |
Control |
5169.85 |
8.0 |
646.23 |
n/a |
n/a |
Solvent controla |
6184.15 |
8.0 |
733.02 |
n/a |
n/a |
25 % v/v |
9222.45 |
8.0 |
1152.81 |
1.5 |
- |
50 % v/v |
10826.05 |
8.0 |
1353.26 |
1.8 |
- |
Undiluted |
8239.25 |
8.0 |
1029.91 |
1.6 |
- |
HCAb25 % v/v |
42625.75 |
8.0 |
5328.22 |
6.9 |
+ |
aacetone:olive oil (4:1 v/v)
bhexyl cinnamic aldehyde (positive control)
* Stimulation Index ≥3 indicates a positive result
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Skin sensitisation (in vivo)
OECD 429 (2012) - In a dermal sensitization study with undiluted Tetraesters of pentaerythritol with 2- methylpropanoic acid and 3,5,5-trimethyl-hexanoic acid and Tetraesters of pentaerythritol with 2-methylpropanoic acid and 3,5,5-trimethyl-hexanoic acid diluted in acetone: olive oil (4:1 v/v) in young female adult mice (CBA/CaCrl) were tested using the Local Lymph Node Assay (LLNA)
Following review of available toxicity and irritancy data a concentration of 100 % was selected as the highest dose investigated in the main test. Three groups, each of five animals, were treated with 25 μL of the test item (undiluted and formulated in the vehicle) at concentrations of 100, 50 and 25 % v/v. A control group (no solution applied) and a solvent control group (acetone:olive oil, 4:1 v/v only), each containing 5 individuals, were also treated. A concurrent positive control test, using a group of five animals, was also performed with the known sensitiser, α-Hexylcinnamaldehyde at a concentration of 25 % v/v in the vehicle.
There were no signs of systemic toxicity or dermal reactions through the test period. Bodyweight increases were within normal range. The Stimulation Index, expressed as the mean radioactive incorporation for each treatment group divided by the mean radioactive incorporation of the vehicle control group, was determined for each treatment group.
The test item did not elicit a Stimulation Index ≥ 3 in any of the test item treated groups. SI values of 1.6, 1.8 and 1.5 were calculated for the 100, 50 and 25 % v/v test groups, respectively. The test item was therefore considered not to be a sensitiser under the conditions of the test.
The positive control group elicited an SI value of 6.9, indicating a positive skin sensitisation response and demonstrating the validity of the test.
In this study, Tetraesters of pentaerythritol with 2-methylpropanoic acid and 3,5,5-trimethyl-hexanoic acid was not a dermal sensitiser.
Skin sensitisation (in vitro)
Waiver - An in vitro or in chemico skin sensitisation study is not necessary because adequate data are available from an in vivo skin sensitisation study.
As per Regulation (EC) 1907/2006, Annex VII, Part 8.3.2, Column 2: In vivo skin sensitisation studies that were carried out or initiated before 10 May 2017, and that meet the requirements set out in Article 13(3), first subparagraph, and Article 13(4) shall be considered appropriate to address this standard information requirement.
The in vivo skin sensitisation study for this substance was conducted in 2012 and produced adequate results to address this endpoint.
The in vivo test was conducted in accordance with International guidelines and GLP. All Guideline validity criteria were met, therefore the study was sufficient to conclude on the skin sensitisation endpoint.
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
The substance does not meet the criteria for classification in accordance with Regulation (EC) No 1272/2008 (CLP).
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.
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