Reaction mass of Cardanol diene and Cardanol monoene and Cardanol triene 

Endpoint summary

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records

Reference

Endpoint:

skin sensitisation

Remarks:

in vivo

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:

data is predicted using the QSAR toolbox version 3.1

GLP compliance:

not specified

Type of study:

not specified

Species:

guinea pig

Strain:

not specified

Sex:

not specified

Route:

other: no data

Concentration / amount:

no data

Concentration / amount:

no data

No. of animals per dose:

no data

Reading:

1st reading

Group:

test chemical

Clinical observations:

sensitizing

Remarks on result:

other: Reading: 1st reading. Group: test group. Clinical observations: sensitizing.

The prediction was based on dataset comprised from the following descriptors: EC3
Estimation method: Takes average value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

(((("a" or "b" or "c" or "d" or "e" )  or "f" )  and ("g" and ( not "h") )  )  and ("i" and "j" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Phenols (Chronic toxicity) by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Alkene AND Allyl AND Aryl AND Benzyl AND Phenol by Organic functional groups

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Allyl AND Benzyl AND Overlapping groups AND Phenol by Organic functional groups (nested)

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Alcohol, olefinic attach [-OH] AND Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aromatic Carbon [C] AND Hydroxy, aromatic attach [-OH] AND Olefinic carbon [=CH- or =C<] AND Olefinic carbon [=CH2] AND Oxygen, one aromatic attach [-O-] by Organic functional groups (US EPA)

Domain logical expression index: "e"

Referential boundary: The target chemical should be classified as Aromatic compound AND Hydroxy compound AND Phenol by Organic functional groups, Norbert Haider (checkmol)

Domain logical expression index: "f"

Similarity boundary:Target: c1(O)cc(CCCCCCCC=CCC=CCCC)ccc1_c1(O)cc(CCCCCCCCCCCCCCC)ccc1_c1(O)cc(CCCCCCCC=CCC=CCC=C)ccc1_c1(O)cc(CCCCCCCC=CCCCCCC)ccc1
Threshold=50%,
Dice(Atom centered fragments)

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Not categorized AND Phenol, (tetrapropenyl) derivatives Tetrapropenyl phenol by OECD HPV Chemical Categories

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as Cresols OR m,p - Cresols by OECD HPV Chemical Categories

Domain logical expression index: "i"

Parametric boundary:The target chemical should have a value of log Kow which is >= 4.73

Domain logical expression index: "j"

Parametric boundary:The target chemical should have a value of log Kow which is <= 12.2

Interpretation of results:

sensitising

Remarks:

Migrated information EC3 = 6.55 % Criteria used for interpretation of results: EU

Conclusions:

Based on QSAR prediction the Reaction mass of Cardanol diene and Cardanol monoene and Cardanol triene was found to be sensitizing to guinea pig (EC3 = 6.5%).

Executive summary:

Based on QSAR prediction the Reaction mass of Cardanol diene and Cardanol monoene and Cardanol triene was found to be sensitizing to guinea pig (EC3 = 6.5%).

Endpoint conclusion

Endpoint conclusion:

adverse effect observed (sensitising)

Additional information:

Based on studies of target & read across substance reviewed for skin sensitisation from reliable sources having Klimisch rating 2 the weight of evidence approach summary results are presented below

 

Sr.No	Test	No. of subjects	Species	Result	Remark
1.	Guinea pig maximisation test	-	Guinea pig	sensitising	QSAR Prediction
2.	-	-	Human	sensitising	Publication data
3	Open epicutaneous test	4-8	guinea pig	Not sensitizing	Publication data
4	-	-	Human	Sensitizing	Publication data of RA
5	Skin prick test	3	Human	Sensitizing	Publication data of RA
6	Patch-Test	54	Human	Sensitizing	Publication data of RA
7	-	-	Human	Sensitizing	Publication data of RA

 

 

Based on results summarized in above table Reaction mass of Cardanol diene and Cardanol monoene and Cardanol triene is shown to produce sensitization reaction when tested on Guinea pig . The supporting study also indicates that there is sensitization observed in humans. Thus Reaction mass of Cardanol diene and Cardanol monoene and Cardanol triene is considered to be sensitizing to skin as per the criteria of CLP regulation

Justification for selection of skin sensitisation endpoint:
The result is experimental. In addition, there is sufficient weight of evidence for the target chemical as well as its close read-across Reaction mass of Cardanol diene and Cardanol monoene and Cardanol triene that indicates a positive sensitizing reaction being produced by cardanol

Respiratory sensitisation

Endpoint conclusion

Endpoint conclusion:

no study available

Justification for classification or non-classification

Reaction mass of Cardanol diene and Cardanol monoene and Cardanol triene is considered to be sensitizing to skin as per the criteria of CLP regulation set by EU.