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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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.

Data source

Materials and methods

Test material

Constituent 1
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical structure
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
Chemical structure
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

Results and discussion

Applicant's summary and conclusion