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EC number: 261-675-7 | CAS number: 59231-37-7
- 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
Acute Toxicity: dermal
Administrative data
- Endpoint:
- acute toxicity: dermal
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 6 May 1992 - 20 May 1992
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Cross-reference
- Reason / purpose for cross-reference:
- read-across: supporting information
Reference
- Endpoint:
- acute toxicity: dermal
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- comparable to guideline study with acceptable restrictions
- Remarks:
- Read-across to similar substance.
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
Full details of the read-across justification are contained in the attached document.
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The source and target substances are composed of the same chemical groups and are bonded together in functionally the same way. The source substance and target substances have similar molecular weight ranges, low water solubility, high partition coefficient, and are in the physical form of a liquid with a neutral pH. Available toxicity information on the source and target substances indicates that they behave in substantially similar ways in the body. The potential for acute dermal toxicity is therefore the same in both substances.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
The source substance and target substances have branched acid groups, which are formed in the respective esters from mono-constituent acids (2-ethyl hexanoic acid for C12-15 Alkyl Ethylhexanoate, 3,5,5-trimetylhexanoic acid for both target substances). The alcohol parts of all three substances are also branching – each substance has an alcohol branch in which the chains are present as a variety of branched species. The slight difference is that whilst Isodecyl 3,5,5-trimethylhexanoate and Isotridecyl 3,5,5-trimethylhexanoate both have a set number of carbons in their alcohol chains (ten and thirteen respectively), the number of carbons in the C12-15 Alkyl Ethylhexanoate is variable (twelve to fifteen).
The alcohol part of the source substance contains an odd number of carbons, which is only shared with the target substance Isotridecyl 3,5,5-trimethylhexanoate, as Isodecyl 3,5,5-trimethylhexanoate has an even number of carbons in the alcohol. It is worth noting that due to the variation in the alcohol carbon amount in C12-15 Alkyl Ethylhexanoate, it also feasibly contains an even amount of carbons (as there will be species with twelve carbons and fourteen carbons) – which is a shared structure similarity to Isodecyl 3,5,5-trimethylhexanoate.
The acid part of the source substance has an even number of carbons, compared to both target substances that both have an odd number of carbons. Neither the source substance nor the target substances have hydrogen donor or hydrogen acceptor sites. The source substance and the target substances are fully saturated, with two hydrogens for every carbon. The molecular weights are very similar, and this means that the physical-chemical properties of the substances are very much alike (see Table 3), in particular:
• All are water insoluble (<0.2 mg/mL)
• All are liquids at room temperature with melting points <-35°C
• All have a boiling point or exothermic reaction at >300°C
• All have a relative density of 0.85-0.86 g/cm3
• All have high partition coefficients (Log KoW) of >7.2 at 35 °C pH 7
The source substance and the target substances are also unclassified under 1278/2008 CLP regulation for both skin and eye irritation/corrosion. In addition, all the substances have an acute oral toxicity of >4300 mg/kg bw, which also means they are unclassified. This, as well as the similarities in acute toxicity, indicate that they will have similar bioavailability.
3. ANALOGUE APPROACH JUSTIFICATION
Due to the similarities of the source and target substances with regards to branching, odd and even numbered alkyl, acid chains, and physico-chemical properties, the target substances are expected to behave in a substantially similar manner in vivo.
The target substances are therefore predicted to fail to induce acute dermal toxicity in the OECD 402 study when conducted in the rat. By extension, the target substances are considered not to fulfil the criteria for acute dermal toxicity under the Classification, Labelling, and Packaging (CLP) regulation (1272/2008).
4. DATA MATRIX
Full details of the read-across justification are contained in the attached document. - Reason / purpose for cross-reference:
- read-across source
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- > 2 000 mg/kg bw
- Based on:
- test mat.
- Interpretation of results:
- GHS criteria not met
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 1 992
- Report date:
- 1992
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 402 (Acute Dermal Toxicity)
- Version / remarks:
- 12 May 1981
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Test type:
- fixed dose procedure
- Limit test:
- yes
Test material
- Reference substance name:
- Hexanoic acid, 2-ethyl-, C12-15-alkyl esters
- EC Number:
- 291-443-0
- EC Name:
- Hexanoic acid, 2-ethyl-, C12-15-alkyl esters
- Cas Number:
- 90411-66-8
- IUPAC Name:
- Hexanoic acid, 2-ethyl-, C12-15-alkyl esters
- Test material form:
- liquid
Constituent 1
- Specific details on test material used for the study:
- A sample of the test material was received in April 30, 1992 and identified with entry n. 1599/1.
Analysis:
No analysis was carried out on the sample as all relevant data was provided by the Sponsor.
Test animals
- Species:
- rat
- Strain:
- Wistar
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- Species: Rats
Strain: Wistar
N.: 10 (5 males and 5 females)
Weight: 200-300 g at the beginning of the study
Sex: Males and Females
Supplier: Morini - S. Polo d'Enza (RE) - ITALY -
These rats were chosen as they are of the 2 species recommended by the Ministerial decree of December 5, 1983 and by OECD Guidelines and also because they are the same species used in the other toxicity test (oral).
- Caging:
The animals were caged in groups of 5 of the same gender in transparentpolycarbonate cages (dimensions mm 425x266x180h) .
The housing room was mantained under the following conditions:
Temperature: 20°C ± 2°C
Humidity: 55% ± 15%
R.H.: air was changed at least 25 times per hour and maintained at a pressure higher than the outside atmosphere
Artificial lighting: 12 h!day
- Cleaning and disinfection:
The cages and the housing room were cleaned and disinfected before the animals were accomodated, then cleaning and disinfection were performed periodically.
- Feeding:
Animals were fed with standard pellet complete diet supplied .by the authorized breeder Morini.
- Watering:
Filtered tap water from local network was supplied ad libitum.
- Animal identification:
Each animal was identified with an indelible colouring in different parts of the body.
No sign: 1
Head: 2
Back: 3
Tail: 4
Head + tail: 5
Cages were labelled.
- Quarantine:
Before being used in this study, the animals were kept in quarantine for one week. During this period they were observed daily. At the end of the quarantine week the animals were carefully examined in order to evaluate their suitability for the study.
- Animal selection:
The animals used for this study were selected randomly from those suitable, available at that time.
Administration / exposure
- Type of coverage:
- not specified
- Vehicle:
- other: Sesame oil
- Details on dermal exposure:
- - PREPARATION OF TEST MATERIAL:
A solution was prepared in sesame seed oil at a concentration of 200 mg/ml.
- EXPERIMENTAL DESIGN:
10 rats were used (5 males, 5 females).
No control group was used as it is documented that sesame seed oil is non toxic.
The animals were treated with a dose of 2000 mg/kg and was administered at a volume of 10 ml/kg.
- ADMINISTRATION:
The test material (10 ml/kg) was administered in one dose and applied directly on the skin. - Duration of exposure:
- 14 days
- Doses:
- The animals were treated with a dose of 2000 mg/kg which was administered at a volume of 10 ml/kg.
The test material (10 ml/kg) was administered in one dose and applied directly on the skin. - Control animals:
- no
- Details on study design:
- All procedures followed during this study conform to the Biolab
S.G.S. Standard Operating Procedures, as recorded and shown in
the Biolab Procedures Manual.
Preparation of test material
A solution was prepared in sesame seed oil at a concentration of 200 mg/ml.
Experimental design
10 rats were used (5 males, 5 females).
No control group was used as it is documented that sesame seed oil is non toxic.
The animals were treated with a dose of 2000 mg/kg and was administered at a volume of 10 ml/kg.
Administration
The test material (10 ml/kg) was administered in one dose and applied directly on the skin.
Observations
General conditions of the animals were controlled daily for 14 days. All data relative to the study, including observations and examination were recorded and signed daily. Observations included:
Mortality
Animals were observed in the morning of every working day.
Clinical signs and behavior
Every clinical symptom, including possible variations in somotomotor activity, was daily recorded in every single animal. Clinical observations included:
- tegumentary apparatus
- mucosae conditions
- respiratory activity
- sensorium conditions
Body weight
Animals were weighed before the experiment, after 7 days and then at the end of the study.
Necropsy
At the end of the observation period rats were sacrificed and a necroptic survey was performed.
Results and discussion
Effect levels
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- > 2 000 mg/kg bw
- Based on:
- test mat.
- Mortality:
- No death occurred during the study among the treated animals.
- Clinical signs:
- other: No clinical signs were observed during the experimental observation period.
- Gross pathology:
- At the ante-mortem and post-mortem examination in all animals no pathological symptoms were observed. Nothing abnormal was found in the autopsy on the animals.
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- The acute dermal LD50 of the test material in the rat was found to be >2000 mg/kg bw under the conditions of the test.
- Executive summary:
The test of acute dermal toxicity was performed on a group of ten rats (5 male and 5 females). The test material, COSMACOL EOI, was administered at a dose of 2000 mg/kg by dermal application. During the study the animals were observed daily for 14 days (5 out of 7) for signs of toxic symptoms. These signs were:
mortality;
evaluation of body functions;
evaluation of the tegumentary apparatus;
evaluation of mucosa conditions;
evaluation of possible variations in somatomotory activity
and sensorium conditions.
Body weight was recorded weekly.
At the end of the test autopsy was carried out on all animals.
The results obained during the study can be summarized as follows:
Mortality
During the study no case of mortality occurred.
Clinical symptoms
No clinical symptoms related to the test were observed.
Weight increase
Weight increase was normal for this species.
Necropsy findings
Animals showed no pathological symptoms.
Nothing abnormal was found in the autopsy.
DL50
The lethal dose 50 is superior 2000 mg/kg.
Under experimental conditions the test material COSMACOL Eor was found to be NON TOXIC.
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