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Diss Factsheets
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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
Endpoint summary
Administrative data
Key value for chemical safety assessment
Effects on fertility
Description of key information
The OECD 421 study is not required to be conducted as a reliable OECD 414 study is available.
Link to relevant study records
- Endpoint:
- screening for reproductive / developmental toxicity
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because a pre-natal developmental toxicity study is available
Reference
Effect on fertility: via oral route
- Endpoint conclusion:
- no study available
Effect on fertility: via inhalation route
- Endpoint conclusion:
- no study available
Effect on fertility: via dermal route
- Endpoint conclusion:
- no study available
Effects on developmental toxicity
Description of key information
Study conducted to recognised testing guideline with GLP conditions.
Link to relevant study records
- Endpoint:
- developmental toxicity
- 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 information on the read-across approach is provided in the attached justification 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 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 reproductive toxicity is therefore the same in all substances.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
The substances are hydrophobic oils at room temperature, with no hydrophilic groups and poor water solubility (all < 0.1 mg/l). The only chemical group present in each substance is the ester group. The boiling points are > 160°C, typically with decomposition >300 °C. The substances are also lipophilic, all with partition coefficients >7.2. The relative densities are all closely related, all being approximately 0.85
All are UVCB substances – with only one part of each substance being from a UVCB source (the stearic acid component of the 2-ethylhexyl stearate, and the alcohol components of the target substances. All the carbon-carbon bonds are saturated, giving a constant ratio of one carbon to two hydrogens across all the substances.
Each substance also has a branched component, which is present from the ester due to the mono-constituent substance used to synthesise it. In the case of the 2-ethylhexyl stearate, this is the alcohol part of the substance. In the case of the target substances Isodecyl 3,5,5-trimethylhexanoate and Isotridecyl 3,5,5-trimethylhexanoate, both the acid part and the alcohol part are branched (although the alcohol is varied due to the UVCB alcohols used as an ingredient for both). The C12-15 Alkyl Ethylhexanoate has the same branched aliphatic chain that the 2-ethylhexyl stearate does, but it is from the acid component rather than the alcohol component.
A difference is that the variation for the 2-ethyl hexyl stearate is along the acid but only in increments of two carbons, which are all linear. The target substances show variation in the alcohol part of the ester, and this variation involves both linear and branched aliphatics – with the C12-15 Alkyl Ethylhexanoate showing additional variation here due to the number of carbons being between twelve and fifteen, whereas they are constant for Isodecyl 3,5,5-trimethylhexanoate (ten carbons) and Isotridecyl 3,5,5-trimethylhexanoate (thirteen carbons). The three target substances also all have a branched acid component which the source substance does not share.
The source substance also only has an even numbered amount of carbons in the acid component, whereas this is only shared in the C12-15 Alkyl Ethylhexanoate, with the Isodecyl 3,5,5-trimethylhexanoate and Isotridecyl 3,5,5-trimethylhexanoate having an odd numbered amount of carbons in the acid component.
The alcohol component of the 2-ethylhexyl stearate is both branched, which it shares with C12-15 Alkyl Ethylhexanoate, Isodecyl 3,5,5-trimethylhexanoate, and Isotridecyl 3,5,5-trimethylhexanoate. The alcohol component is also even numbered, which it only shares with C12-15 Alkyl Ethylhexanoate and Isodecyl 3,5,5-trimethylhexanoate, and not Isotridecyl 3,5,5-trimethylhexanoate. It should also be noted that due to the nature of the alcohol component of C12-15 Alkyl Ethylhexanoate, both even numbered and odd numbered amounts of carbons are present in the alcohol chain in the substance.
The substances have also been tested for toxicity (oral) and the conclusions were that neither the source substance nor target substances were classified for toxicity (LD50 > 2000 mg/kg bw). In addition, skin and irritation tests also concluded no classification under CLP 1278/2008.
These common phys-chem properties, and the similar results for toxicity and skin/eye irritation/corrosion, indicate that the substances will share similar bioavailability and toxicity.
3. ANALOGUE APPROACH JUSTIFICATION
Due to the similarities of the source and target substances with regards to branching, odd and even numbered alkyl and acid chains, the target substances are expected to behave in a substantially similar manner in vivo.
The target substances are therefore predicted to fail to induce effects of developmental toxicity in the OECD 414 study when conducted in the rat. By extension, the target substances are considered not to fulfil the criteria for reproductive toxicity under the Classification, Labelling, and Packaging (CLP) regulation (1272/2008).
4. DATA MATRIX
Full information on the read-across approach is provided in the attached justification document. - Reason / purpose for cross-reference:
- read-across source
- Dose descriptor:
- NOAEL
- Effect level:
- 1 000 mg/kg bw/day (actual dose received)
- Based on:
- test mat. (total fraction)
- Basis for effect level:
- body weight and weight gain
- mortality
- Abnormalities:
- no effects observed
- Dose descriptor:
- NOAEL
- Effect level:
- 1 000 mg/kg bw/day (actual dose received)
- Based on:
- test mat. (total fraction)
- Sex:
- male/female
- Basis for effect level:
- reduction in number of live offspring
- changes in sex ratio
- fetal/pup body weight changes
- changes in litter size and weights
- external malformations
- skeletal malformations
- visceral malformations
- Abnormalities:
- no effects observed
- Developmental effects observed:
- no
Reference
Effect on developmental toxicity: via oral route
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- NOAEL
- 1 000 mg/kg bw/day
- Study duration:
- subacute
- Species:
- rat
- Quality of whole database:
- 1
Effect on developmental toxicity: via inhalation route
- Endpoint conclusion:
- no study available
Effect on developmental toxicity: via dermal route
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
Based upon the result of the key study the registered substance does not meet the criteria for classification as a reproductive toxic substance under the EU classification, Labelling, and Packaging (CLP) regulation (1272/2008).
Additional information
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.