Reaction products of 4,4'-(1,3-phenylene-bis(1-methylethylidene))bis-phenol and cyanogen bromide

Skin sensitisation

Administrative data

Endpoint:

skin sensitisation: in vitro

Data waiving:

other justification

Justification for data waiving:

other:

Justification for type of information:

JUSTIFICATION FOR DATA WAIVING
In vitro testing does not differentiate between category 1 and category 2 sensitisers so in vivo testing would be required. It is not in the interest of animal welfare to carry out LLNA testing.

Materials and methods

Test material

Test material information

Constituent 1

Reference substance name:

1,3-Bis[2-(4-cyanatophenyl)-2-propyl]benzene

Cas Number:

127667-44-1

Molecular formula:

C26 H24 N2 O2

IUPAC Name:

1,3-Bis[2-(4-cyanatophenyl)-2-propyl]benzene

Constituent 2

Reference substance name:

1,3,5-triazine-2,4,6-triyltris(oxybenzene-4,1-diylpropane-2,2-diylbenzene-3,1-diylpropane-2,2-diylbenzene-4,1-diyl) tricyanate

Molecular formula:

C78H72N6O6

IUPAC Name:

1,3,5-triazine-2,4,6-triyltris(oxybenzene-4,1-diylpropane-2,2-diylbenzene-3,1-diylpropane-2,2-diylbenzene-4,1-diyl) tricyanate

Constituent 3

Reference substance name:

4-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}phenyl cyanate

Molecular formula:

C19H19NO

IUPAC Name:

4-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}phenyl cyanate

Constituent 4

Reference substance name:

4-(2-{3-[2-(4-cyanatophenyl)propan-2-yl]phenyl}propan-2-yl)phenyl N-{(E)-[4-(2-{3-[2-(4-cyanatophenyl)propan-2-yl]phenyl}propan-2-yl)phenoxy]methylidene}carbamimidate

Molecular formula:

C52H50N4O4

IUPAC Name:

4-(2-{3-[2-(4-cyanatophenyl)propan-2-yl]phenyl}propan-2-yl)phenyl N-{(E)-[4-(2-{3-[2-(4-cyanatophenyl)propan-2-yl]phenyl}propan-2-yl)phenoxy]methylidene}carbamimidate

Constituent 5

Reference substance name:

4-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}phenyl N-{(Z)-[4-(2-{3-[2-(4-cyanatophenyl)propan-2-yl]phenyl}propan-2-yl)phenoxy]methylidene}carbamimidate

Molecular formula:

C45H45N3O3

IUPAC Name:

4-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}phenyl N-{(Z)-[4-(2-{3-[2-(4-cyanatophenyl)propan-2-yl]phenyl}propan-2-yl)phenoxy]methylidene}carbamimidate

Constituent 6

Reference substance name:

4-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}phenyl N-[(E)-(4-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}phenoxy)methylidene]carbamimidate

Molecular formula:

C38H40N2O2

IUPAC Name:

4-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}phenyl N-[(E)-(4-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}phenoxy)methylidene]carbamimidate

Constituent 7

Reference substance name:

2,4,6-tris(4-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}phenoxy)-1,3,5-triazine

Molecular formula:

C57H57N3O3

IUPAC Name:

2,4,6-tris(4-{2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}phenoxy)-1,3,5-triazine

Constituent 8

Reference substance name:

4-[2-(3-{2-[4-({4,6-bis[4-(2-{3-[2-(4-cyanatophenyl)propan-2-yl]phenyl}propan-2-yl)phenoxy]-1,3,5-triazin-2-yl}oxy)phenyl]propan-2-yl}phenyl)propan-2-yl]phenyl N-{(E)-[4-(2-{3-[2-(4-cyanatophenyl)propan-2-yl]phenyl}propan-2-yl)phenoxy]methylidene}carbamimidate

Molecular formula:

C104H98N8O8

IUPAC Name:

4-[2-(3-{2-[4-({4,6-bis[4-(2-{3-[2-(4-cyanatophenyl)propan-2-yl]phenyl}propan-2-yl)phenoxy]-1,3,5-triazin-2-yl}oxy)phenyl]propan-2-yl}phenyl)propan-2-yl]phenyl N-{(E)-[4-(2-{3-[2-(4-cyanatophenyl)propan-2-yl]phenyl}propan-2-yl)phenoxy]methylidene}carbamimidate

Constituent 9

Reference substance name:

Polymeric impurites: reaction product of Bishenol M with cyanogen bromide

Molecular formula:

not available

IUPAC Name:

Polymeric impurites: reaction product of Bishenol M with cyanogen bromide

Details on test material:

Identification: Sodium benzoate
Purity: >99.5%
Physical state/Appearance: white granular solid
Expiry Date: 09 May 2022
Storage Conditions: room temperature over silica gel