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EC number: 208-031-3 | CAS number: 506-30-9
- 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
Endpoint summary
Administrative data
Description of key information
Key value for chemical safety assessment
Skin sensitisation
Link to relevant study records
- Endpoint:
- skin sensitisation: in vivo (non-LLNA)
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
- Principles of method if other than guideline:
- Prediction is done using QSAR toolbox version 3.1
- GLP compliance:
- not specified
- Type of study:
- guinea pig maximisation test
- Species:
- guinea pig
- Strain:
- not specified
- Sex:
- not specified
- Route:
- other: no data
- Vehicle:
- no data
- Route:
- other: no data
- Vehicle:
- no data
- Positive control substance(s):
- not specified
- Reading:
- 1st reading
- Group:
- test chemical
- Clinical observations:
- Non sensitising to guinea pigs skin
- Remarks on result:
- other: Reading: 1st reading. Group: test group. Clinical observations: Non sensitising to guinea pigs skin.
- Interpretation of results:
- not sensitising
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- According to the quantitative structure activity relationship model (QSAR) prediction, Eicosanoic acid was predicted as a non-sensitizer to the guinea pigs skin by guinea pig maximisation test (GPMT).
- Executive summary:
According to the quantitative structure activity relationship model (QSAR) prediction, Eicosanoic acid was predicted as a non-sensitizer to the guinea pigs skin by guinea pig maximisation test (GPMT).
Reference
The prediction was based on dataset comprised from the following descriptors: "S M W N"
Estimation method: Takes highest mode value from the 6 nearest neighbours
Domain logical expression:Result: In Domain
(((((("a" and ("b" and ( not "c") ) ) and "d" ) and ("e" and ( not "f") ) ) and ("g" and ( not "h") ) ) and "i" ) and ("j" and "k" ) )
Domain logical expression index: "a"
Similarity boundary:Target: C(=O)(O)CCCCCCCCCCCCCCCCCCC
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "b"
Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS v1.1
Domain logical expression index: "c"
Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Ester aminolysis OR Acylation >> Ester aminolysis >> Amides OR Acylation >> Ester aminolysis or thiolysis OR Acylation >> Ester aminolysis or thiolysis >> Activated alkyl or aryl esters OR Acylation >> Ester aminolysis or thiolysis >> Diarylesters OR Ionic OR Ionic >> Electrostatic interaction of tetraalkylammonium ions with protein carboxylates OR Ionic >> Electrostatic interaction of tetraalkylammonium ions with protein carboxylates >> Tetraalkylammonium ions OR Michael addition OR Michael addition >> a,b-unsaturated carbonyl compounds OR Michael addition >> a,b-unsaturated carbonyl compounds >> a,b-unsatuarted aldehydes OR Michael addition >> a,b-unsaturated carbonyl compounds >> Lactones_Michael addition OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group OR Michael addition >> Michael addition on conjugated systems with electron withdrawing group >> alpha,beta-carbonyl compounds with polarized double bonds OR Nucleophilic addition OR Nucleophilic addition >> Addition to Carbon-hetero double/triple bond OR Nucleophilic addition >> Addition to Carbon-hetero double/triple bond >> Ketones OR Radical OR Radical >> Free radical formation OR Radical >> Free radical formation >> Organic peroxy compounds OR Schiff base formation OR Schiff base formation >> Nucleophilic cycloaddition to diketones OR Schiff base formation >> Nucleophilic cycloaddition to diketones >> Diketones OR Schiff base formation >> Schiff base formation with carbonyl compounds OR Schiff base formation >> Schiff base formation with carbonyl compounds >> Aldehydes OR SN2 OR SN2 >> Nucleophilic substitution at sp3 Carbon atom OR SN2 >> Nucleophilic substitution at sp3 Carbon atom >> Activated alkyl esters OR SN2 >> Nucleophilic substitution on benzylic carbon atom OR SN2 >> Nucleophilic substitution on benzylic carbon atom >> Benzylic esters by Protein binding by OASIS v1.1
Domain logical expression index: "d"
Referential boundary: The target chemical should be classified as No superfragment by Superfragments
Domain logical expression index: "e"
Referential boundary: The target chemical should be classified as Not classified by Oncologic Primary Classification
Domain logical expression index: "f"
Referential boundary: The target chemical should be classified as Aldehyde Type Compounds OR Alkyl Sulfate and Alkyl Alkanesulfonate Type Compounds OR Aromatic Amine Type Compounds OR Arylazo Type Compounds OR Phenol Type Compounds by Oncologic Primary Classification
Domain logical expression index: "g"
Referential boundary: The target chemical should be classified as Non-Metals by Groups of elements
Domain logical expression index: "h"
Referential boundary: The target chemical should be classified as Alkali Earth by Groups of elements
Domain logical expression index: "i"
Similarity boundary:Target: C(=O)(O)CCCCCCCCCCCCCCCCCCC
Threshold=60%,
Dice(Atom pairs)
Domain logical expression index: "j"
Parametric boundary:The target chemical should have a value of log Kow which is >= 7.04
Domain logical expression index: "k"
Parametric boundary:The target chemical should have a value of log Kow which is <= 10
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not sensitising)
- Additional information:
Various studies were reviewed for skin sensitization with Klimish rating 2 and 4 for the target and the read across substance for CAS: 506-30-9 considering the weight of evidence approach.
The results are summarized as follows:
Sr.No
Type of study
Species
Interpretation of results
Conclusion
Sources
1
Guinea pig maximisation test
Guinea pig
Not sensitising
According to the quantitative structure activity relationship model (QSAR) prediction, Eicosanoic acid was predicted as a non-sensitizer to the guinea pigs skin by guinea pig maximisation test (GPMT).
Predicted data from QSAR for target CAS: 506-30-9
2
Guinea pig maximisation test
Guinea pig
Not sensitising
In-vivo prediction studies for skin sensitization with Eicosanoic acid demonstrates negative skin sensitization results in Guinea pig maximisation test.
Predicted data from DEPA for CAS: 506-30-9
3
Patch-Test
Human
Not sensitising
In a prophetic patch test, a shave cream formulation containing 2.2% Palmitic Acid was tested for sensitization of the skin of 101 human subjects. Two 24-hr closed and open patches are usually applied to the skin 10-14 days apart in the standard Schwartz-Peck procedure. There were 3 reactions of mild to intense erythema to the closed challenge patch and the formulation was considered " nonsensitizing."
Experimental data from study report for RA CAS: 57-10-3
Based on the studies summarized in the above table it can be concluded that substance CAS: 506-30-9 is expected to show the similar toxicological effect based on the effects observed on the other category members.The endpoint results showed negative sensitization effect to human subjects and guinea pigs,thus it is concluded that Eicosanoic acid was found to be a non skin sensitizer. Thus Eicosanoic acid is considered as non sensitising for the purpose of classification.
Migrated from Short description of key information:
The test substance Eicosanoic acid was not being sensitizing to the skin of human subjects and guinea pigs.
Justification for selection of skin sensitisation endpoint:
According to the quantitative structure activity relationship model (QSAR) prediction, Eicosanoic acid was predicted as a non-sensitizer to the guinea pigs skin by guinea pig maximisation test (GPMT).
Respiratory sensitisation
Endpoint conclusion
- Endpoint conclusion:
- no study available
Justification for classification or non-classification
The test substance Eicosanoic acid is considered as non sensitising for the purpose of classification.
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