Reaction products of 2-(4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)-5-hydroxyphenol with ((C10-16, rich in C12-13 alkyloxy)methyl)oxyrane

Basic toxicokinetics

Administrative data

Endpoint:

basic toxicokinetics, other

Remarks:

QSAR Assessment

Type of information:

(Q)SAR

Adequacy of study:

key study

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

Justification for type of information:

EC No. 410-560-1 is structually similar to the training set contains compounds, the training set contains compounds featuring cyclic moieties, including aromatic and heterocyclic ones, polar hydrogen-bonding groups like amines and hydroxyl groups. The training set contains compounds of relatively similar size to the studied molecule.

Data source

Reference

Reference Type:

other: QSAR report

Title:

Unnamed

Year:

2015

Materials and methods

Objective of study:

other: Protein-binding

Test guideline

Test guideline 1

Qualifier:

according to guideline

Guideline:

EU Method B.36 (Toxicokinetics)

Version / remarks:

Annex 8.8.1

Test guideline 2

Qualifier:

according to guideline

Guideline:

OECD Guideline 417 (Toxicokinetics)

Test material

Test material information

Constituent 1

Reference substance name:

2-[4-[2-Hydroxy-3-tridecyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine

Molecular formula:

C41H55N3O4

IUPAC Name:

2-[4-[2-Hydroxy-3-tridecyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine

Constituent 2

Reference substance name:

2-[4-[2-Hydroxy-3-dodecyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine

Molecular formula:

C40H53N3O4

IUPAC Name:

2-[4-[2-Hydroxy-3-dodecyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine

Constituent 3

Reference substance name:

2-[4-[2-Hydroxy-3-butadecyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine

Molecular formula:

C42H57N3O4

IUPAC Name:

2-[4-[2-Hydroxy-3-butadecyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine

Constituent 4

Reference substance name:

2-[4-[2-Hydroxy-3-undecyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine

Molecular formula:

C39H51N3O4

IUPAC Name:

2-[4-[2-Hydroxy-3-undecyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine

Constituent 5

Reference substance name:

2-[4-[2-Hydroxy-3-decyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine

Molecular formula:

C38H49N3O4

IUPAC Name:

2-[4-[2-Hydroxy-3-decyloxypropyl]oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine

impurity 1

Reference substance name:

1,3-Benzenediol, 4-(4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)-

Cas Number:

1668-53-7

Molecular formula:

C25H23N3O2

IUPAC Name:

1,3-Benzenediol, 4-(4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl)-

impurity 2

Reference substance name:

2-[4-[(2-Hydroxy-3-nonanyloxypropyl)oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine

Cas Number:

not available

Molecular formula:

C37H47N3O4

IUPAC Name:

2-[4-[(2-Hydroxy-3-nonanyloxypropyl)oxy]-2-hydroxyphenyl]-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine

impurity 3

Reference substance name:

unknown impurities

Molecular formula:

unknown impurities

IUPAC Name:

unknown impurities

Test material form:

liquid: viscous

Specific details on test material used for the study:

CAS No.: 65277-42-1
CAS No.: 130-95-0
CAS No.: 84625-61-6

Applicant's summary and conclusion

Conclusions:

The predicted protein binding value for the substance is the weighted average of the values of all the components including the known impurities. The prediction indicates that the studied UVCB substance is strongly binding.