Reaction mass of Cardanol diene and Cardanol monoene and Cardanol triene 

Adsorption / desorption

Link to relevant study record(s)

Reference

Endpoint:

adsorption / desorption

Remarks:

adsorption/desorption

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Principles of method if other than guideline:

The data is taken fron QSAR toolbox version 3.1

GLP compliance:

not specified

Type of method:

HPLC estimation method

Media:

soil

Analytical monitoring:

not specified

Type:

Koc

Value:

122.513

Remarks on result:

other: not determined

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" )  and ("f" and ( not "g") )  )  and ("h" and ( not "i") )  )  and "j" )  and "k" )  and ("l" and "m" )  )

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"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OECD

Domain logical expression index: "g"

Referential boundary: The target chemical should be classified as Acylation OR Acylation >> Direct Acylation Involving a Leaving group OR Acylation >> Direct Acylation Involving a Leaving group >> Acetates OR Schiff Base Formers OR Schiff Base Formers >> Direct Acting Schiff Base Formers OR Schiff Base Formers >> Direct Acting Schiff Base Formers >> Mono-carbonyls OR SN2 OR SN2 >> Epoxides and Related Chemicals OR SN2 >> Epoxides and Related Chemicals >> Epoxides OR SN2 >> SN2 reaction at sp3 carbon atom OR SN2 >> SN2 reaction at sp3 carbon atom >> Alkyl halides OR SN2 >> SN2 reaction at sp3 carbon atom >> Allyl acetates and related chemicals OR SNAr OR SNAr >> Nucleophilic aromatic substitution OR SNAr >> Nucleophilic aromatic substitution >> Halo-triazines by Protein binding by OECD

Domain logical expression index: "h"

Referential boundary: The target chemical should be classified as No alert found by Protein binding by OASIS v1.1

Domain logical expression index: "i"

Referential boundary: The target chemical should be classified as 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 Schiff base formation OR Schiff base formation >> Schiff base formation with carbonyl compounds OR Schiff base formation >> Schiff base formation with carbonyl compounds >> Aldehydes by Protein binding by OASIS v1.1

Domain logical expression index: "j"

Referential boundary: The target chemical should be classified as Does NOT Biodegrade Fast by Biodeg probability (Biowin 5)

Domain logical expression index: "k"

Referential boundary: The target chemical should be classified as No superfragment by Superfragments

Domain logical expression index: "l"

Parametric boundary:The target chemical should have a value of Molecular weight which is >= 290 Da

Domain logical expression index: "m"

Parametric boundary:The target chemical should have a value of Molecular weight which is <= 310 Da

Validity criteria fulfilled:

not specified

Conclusions:

Estimated Koc of the Reaction mass of Cardanol diene and Cardanol monoene and Cardanol triene is found to be 122.51. ( Log Koc = 2.088)

Executive summary:

Estimated Koc of the Reaction mass of Cardanol diene and Cardanol monoene and Cardanol triene is found to be 122.51. ( Log Koc = 2.088).

Description of key information

         
Estimated Koc of the Reaction mass of Cardanol diene and Cardanol monoene and Cardanol triene is found to be 122.51. ( Log Koc = 2.088).

Key value for chemical safety assessment

Koc at 20 °C:

122.51

Additional information

Estimated Koc of the Reaction mass of Cardanol diene and Cardanol monoene and Cardanol triene is found to be 122.51. ( Log Koc = 2.088).

[LogKoc: 2.088]