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EC number: 211-064-6 | CAS number: 628-97-7
- 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
Skin sensitisation
Administrative data
- Endpoint:
- skin sensitisation: in chemico
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 18 March 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2008
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- A prediction on the ethyl palmitate was performed using OECD ToolBox v4.1
- GLP compliance:
- no
Test material
- Reference substance name:
- Ethyl palmitate
- EC Number:
- 211-064-6
- EC Name:
- Ethyl palmitate
- Cas Number:
- 628-97-7
- Molecular formula:
- C18H36O2
- IUPAC Name:
- ethyl hexadecanoate
Constituent 1
In chemico test system
- Details on the study design:
- A prediction on skin sensitisation was conducted using OECD ToolBox v4.1 for ethyl palmitate. The predicted endpoint is skin sensitisation from experimental data coming from well identifiable test systems: OECD 406 (Buehler Test, Guinea Pig Maximisation Test). Structural analogues with relevant data were used for read-across (Methyl nonadecanoate, methyl laurate, dibutyl adipate, methyl hexanoate and ethan-1,2-diyl palmitate). The prediction is based on 6 values, 6 of them (100%) equal to predicted value. Prediction confidence is measured by the p-value: 0.0156. The applicability domain was defined as carboxylic acid ester for functional groups.
Results and discussion
In vitro / in chemico
Results
- Key result
- Remarks on result:
- no indication of skin sensitisation
Any other information on results incl. tables
Table 1: Data matrix for the target and the analogue substances
Structure |
|
|
|
|
|
|
CAS number |
628-97-7 |
- |
111-82-0 |
105-99-7 |
106-70-7 |
624-03-3 |
Chemical name |
ethyl palmitatete |
Methyl nonadecanoate |
methyl laurate |
Dibutyl adipate |
Methyl hexanoate |
ethane-1,2-diyl palmitate |
Smiles Code |
CCCCCCCCCCCCCCCC(=O)OC C |
CCCCCCCCCCCCCCCCCCC(= O)OC |
CCCCCCCCCCCC(=O)OC |
CCCCOC(=O)CCCCC(=O)OCCC C |
CCCCCC(=O)OC |
CCCCCCCCCCCCCCCC(=O)OC COC(=O)CCCCCCCCCCCCCCC |
Profiles used forgrouping/subcategorization |
||||||
Organic functional groups (primary grouping) |
Carboxylic acid ester |
Carboxylic acid ester |
Carboxylic acid ester |
Carboxylic acid ester |
Carboxylic acid ester |
Carboxylic acid ester |
Protein binding alerts for skin sensitization according to GHS (subcategorization) |
No alert found |
No alert found |
No alert found |
No alert found |
No alert found |
No alert found |
|
|
|
General Mechanistic |
|
|
|
Protein binding by OASIS |
No alert found |
No alert found |
No alert found |
No alert found |
No alert found |
No alert found |
Protein binding by OECD |
No alert found |
No alert found |
No alert found |
No alert found |
No alert found |
No alert found |
Protein binding potency |
Not possible to classify according to these rules (GSH) |
Not possible to classify according to these rules (GSH) |
Not possible to classify according to these rules (GSH) |
Not possible to classify according to these rules (GSH) |
Not possible to classify according to these rules (GSH) |
Not possible to classify according to these rules (GSH) |
Protein binding potencyCys(DPRA 13%) |
DPRA less than 9% (DPRA 13%) >> Non-Conjugated carboxylic acids and esters (non reactive) |
DPRA less than 9% (DPRA 13%) >> Non-Conjugated carboxylic acids and esters (non reactive) |
DPRA less than 9% (DPRA 13%) >> Non-Conjugated carboxylic acids and esters (non reactive) |
DPRA less than 9% (DPRA 13%) >> Non-Conjugated carboxylic acids and esters (non reactive) |
DPRA less than 9% (DPRA 13%) >> Non-Conjugated carboxylic acids and esters (non reactive) |
DPRA less than 9% (DPRA 13%) >> No protein binding alert |
Protein binding potency Lys (DPRA 13%) |
DPRA less than 9% (DPRA 13%) >> Non-Conjugated carboxylic acids and esters (non reactive) |
DPRA less than 9% (DPRA 13%) >> Non-Conjugated carboxylic acids and esters (non reactive) |
DPRA less than 9% (DPRA 13%) >> Non-Conjugated carboxylic acids and esters (non reactive) |
DPRA less than 9% (DPRA 13%) >> Non-Conjugated carboxylic acids and esters (non reactive) |
DPRA less than 9% (DPRA 13%) >> Non-Conjugated carboxylic acids and esters (non reactive) |
DPRA less than 9% (DPRA 13%) >> Non-Conjugated carboxylic acids and esters (non reactive) |
|
|
|
Endpoint Specific |
|
|
|
Protein binding alerts for skin sensitization according to GHS |
No alert found |
No alert found |
No alert found |
No alert found |
No alert found |
No alert found |
Protein binding alerts for skin sensitization by OASIS |
No alert found |
No alert found |
No alert found |
No alert found |
No alert found |
No alert found |
Protein Binding Potency h-CLAT |
No alert found |
No alert found |
No alert found |
No alert found |
No alert found |
No alert found |
Applicant's summary and conclusion
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Based on the prediction performed with OECD ToolBox V4.1 software, the ethyl palmitate should be considered as not inducing skin sensitisation according to CLP criteria.
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