Icosanoic acid

Endpoint summary

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records

Reference

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.

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

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).

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.