Registration Dossier

Identification

Chemical structure
Display Name:
3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomers, reaction products with 2-butanone oxime
EC Number:
500-287-7
EC Name:
3-Isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomers, reaction products with 2-butanone oxime
CAS Number:
103170-26-9
Molecular formula:
>= C48H81N9O9 (IPDI-Isocyanurate n=3, 2-butanone oxime-blocked)

Type of substance

Composition:
UVCB
Origin:
organic

Other names

Trade names:
Desmodur BL 4265 SN

Total tonnage band

Total range:
1 000 - 10 000 tonnes per annum

REACH

Registered as:
FULL
Submitted:
Joint Submission

Publication dates

First published:
15-Jul-2013
Last modified:
14-Jul-2019

Chemical safety assessment

Performed for this substance:
YES

Compositions open all close all

Type:
legal entity composition of the substance
State Form:
solid: bulk


Constituent 1
Chemical structure
Reference substance name:
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=3, blocked with 2-butanone oxime
Molecular formula:
C48 H81 N9 O9
IUPAC Name:
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=3, blocked with 2-butanone oxime
Constituent 2
Chemical structure
Reference substance name:
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=5, blocked with 2-butanone oxime
Molecular formula:
C76 H126 N14 O14
IUPAC Name:
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=5, blocked with 2-butanone oxime
Constituent 3
Reference substance name:
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=7 or higher, blocked with 2-butanone oxime
Molecular formula:
>= C104 H171 N19 O19
IUPAC Name:
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, oligomerization product (isocyanurate type), n=7 or higher, blocked with 2-butanone oxime
Constituent 4
Chemical structure
Reference substance name:
Butan-2-one O-[[[[1,3,3-trimethyl-5-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxime
EC Number:
268-398-0
EC Name:
Butan-2-one O-[[[[1,3,3-trimethyl-5-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxime
CAS Number:
68083-48-7
Molecular formula:
C20H36N4O4
IUPAC Name:
butan-2-one O-[[[[1,3,3-trimethyl-5-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxime
Constituent 5
Chemical structure
Reference substance name:
Butanone oxime
EC Number:
202-496-6
EC Name:
Butanone oxime
CAS Number:
96-29-7
Molecular formula:
C4H9NO
IUPAC Name:
butan-2-one oxime
Type:
boundary composition of the substance
State Form:
solid: bulk


Constituent 1
Chemical structure
Reference substance name:
(Z)-(butan-2-ylidene)amino N-(3-{[3,5-bis({5-[({[(Z)-(butan-2-ylidene)amino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl}-3,5,5-trimethylcyclohexyl)carbamate
Molecular formula:
C48H81N9O9
IUPAC Name:
(Z)-(butan-2-ylidene)amino N-(3-{[3,5-bis({5-[({[(Z)-(butan-2-ylidene)amino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl}-3,5,5-trimethylcyclohexyl)carbamate
Constituent 2
Chemical structure
Reference substance name:
(Z)-(butan-2-ylidene)amino N-(3-{[3-({5-[3,5-bis({5-[({[(Z)-(butan-2-ylidene)amino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]-1,3,3-trimethylcyclohexyl}methyl)-5-({5-[({[(Z)-(butan-2-ylidene)amino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl}-3,5,5-trimethylcyclohexyl)carbamate
Molecular formula:
C76H126N14O14
IUPAC Name:
(Z)-(butan-2-ylidene)amino N-(3-{[3-({5-[3,5-bis({5-[({[(Z)-(butan-2-ylidene)amino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]-1,3,3-trimethylcyclohexyl}methyl)-5-({5-[({[(Z)-(butan-2-ylidene)amino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl}-3,5,5-trimethylcyclohexyl)carbamate
Constituent 3
Chemical structure
Reference substance name:
(Z)-(butan-2-ylidene)amino N-(3-{[3,5-bis({5-[3,5-bis({5-[({[(Z)-(butan-2-ylidene)amino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl}-3,5,5-trimethylcyclohexyl)carbamate
Molecular formula:
>= C104H171N19O19 (IPDI-Isocyanurate n=7, 2-butanone oxime-blocked)
IUPAC Name:
(Z)-(butan-2-ylidene)amino N-(3-{[3,5-bis({5-[3,5-bis({5-[({[(Z)-(butan-2-ylidene)amino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl}-3,5,5-trimethylcyclohexyl)carbamate
Constituent 4
Chemical structure
Reference substance name:
Butan-2-one O-[[[[1,3,3-trimethyl-5-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxime
EC Number:
268-398-0
EC Name:
Butan-2-one O-[[[[1,3,3-trimethyl-5-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxime
CAS Number:
68083-48-7
Molecular formula:
C20H36N4O4
IUPAC Name:
butan-2-one O-[[[[1,3,3-trimethyl-5-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]cyclohexyl]methyl]amino]carbonyl]oxime
Constituent 5
Chemical structure
Reference substance name:
Butanone oxime
EC Number:
202-496-6
EC Name:
Butanone oxime
CAS Number:
96-29-7
Molecular formula:
C4H9NO
IUPAC Name:
butan-2-one oxime
Constituent 6
Chemical structure
Reference substance name:
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate
EC Number:
223-861-6
EC Name:
3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate
CAS Number:
4098-71-9
Molecular formula:
C12H18N2O2
IUPAC Name:
5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
Type:
legal entity composition of the substance


Constituent 1
Chemical structure
Reference substance name:
1,3-bis[(5-{[(aminooxy)carbonyl]amino}-1,3,3-trimethylcyclohexyl)methyl]urea
Molecular formula:
C23H44N6O5
IUPAC Name:
1,3-bis[(5-{[(aminooxy)carbonyl]amino}-1,3,3-trimethylcyclohexyl)methyl]urea
Constituent 2
Chemical structure
Reference substance name:
{[(E)-butan-2-ylideneamino]oxy}[({5-[({[(Z)-butan-2-ylideneamino]oxy}carbonyl) amino]-1,3,3-trimethylcyclohexyl}methyl)amino]methanone
Molecular formula:
C20H36N4O4
IUPAC Name:
{[(E)-butan-2-ylideneamino]oxy}[({5-[({[(Z)-butan-2-ylideneamino]oxy}carbonyl) amino]-1,3,3-trimethylcyclohexyl}methyl)amino]methanone
Constituent 3
Chemical structure
Reference substance name:
1,3-bis[(5-{[(aminooxy)carbonyl]amino}-1,3,3-trimethylcyclohexyl)methyl]-1,3-diazetidine-2,4-dione
Molecular formula:
C24H42N6O6
IUPAC Name:
1,3-bis[(5-{[(aminooxy)carbonyl]amino}-1,3,3-trimethylcyclohexyl)methyl]-1,3-diazetidine-2,4-dione
Constituent 4
Chemical structure
Reference substance name:
1,3,5-tris[(5-{[(aminooxy)carbonyl]amino}-1,3,3-trimethylcyclohexyl)methyl]-1,3,5-triazinane-2,4,6-trione
Molecular formula:
C36H63N9O9
IUPAC Name:
1,3,5-tris[(5-{[(aminooxy)carbonyl]amino}-1,3,3-trimethylcyclohexyl)methyl]-1,3,5-triazinane-2,4,6-trione
Constituent 5
Chemical structure
Reference substance name:
methyl ({5-[({[(Z)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)[({5-[({[(Z)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)carbamoyl] carbamate
Molecular formula:
C33H58N6O7
IUPAC Name:
methyl ({5-[({[(Z)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)[({5-[({[(Z)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)carbamoyl] carbamate
Constituent 6
Chemical structure
Reference substance name:
butyl ({5-[({[(Z)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)[({5-[({[(Z)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)carbamoyl] carbamate
Molecular formula:
C36H64N6O7
IUPAC Name:
butyl ({5-[({[(Z)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)[({5-[({[(Z)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)carbamoyl] carbamate
Constituent 7
Chemical structure
Reference substance name:
1,3,5-tris({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-1,3,5-triazinane-2,4,6-trione
Molecular formula:
C48H81N9O9
IUPAC Name:
1,3,5-tris({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-1,3,5-triazinane-2,4,6-trione
Constituent 8
Chemical structure
Reference substance name:
1-({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-3-({5-[({[(Z)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-5-[(6,8-dimethyl-4-oxa-2-azabicyclo[4.3.1]dec-2-en-8-yl)methyl]-1,3,5-triazinane-2,4,6-trione
Molecular formula:
C44H72N8O8
IUPAC Name:
1-({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-3-({5-[({[(Z)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-5-[(6,8-dimethyl-4-oxa-2-azabicyclo[4.3.1]dec-2-en-8-yl)methyl]-1,3,5-triazinane-2,4,6-trione
Constituent 9
Chemical structure
Reference substance name:
butyl [(3-{[3,5-bis({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl}-3,5,5-trimethylcyclohexyl)carbamoyl]({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)carbamate
Molecular formula:
C64H109N11O12
IUPAC Name:
butyl [(3-{[3,5-bis({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl}-3,5,5-trimethylcyclohexyl)carbamoyl]({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)carbamate
Constituent 10
Chemical structure
Reference substance name:
1-(3-{[3,5-bis({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl}-3,5,5-trimethylcyclohexyl)-3,5-bis({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-1,3,5-triazinane-2,4,6-trione
Molecular formula:
C76H126N14O14
IUPAC Name:
1-(3-{[3,5-bis({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl}-3,5,5-trimethylcyclohexyl)-3,5-bis({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-1,3,5-triazinane-2,4,6-trione
Constituent 11
Chemical structure
Reference substance name:
3-hydroxypropyl [({5-[3-(3-{[3,5-bis({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl}-3,5,5-trimethylcyclohexyl)-5-({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]-1,3,3-trimethylcyclohexyl}methyl)carbamoyl]({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)carbamate
Molecular formula:
C91H152N16O18
IUPAC Name:
3-hydroxypropyl [({5-[3-(3-{[3,5-bis({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl}-3,5,5-trimethylcyclohexyl)-5-({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]-1,3,3-trimethylcyclohexyl}methyl)carbamoyl]({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)carbamate
Constituent 12
Chemical structure
Reference substance name:
1,1'-{[5-({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinane-1,3-diyl]bis[(1,5,5-trimethylcyclohexane-3,1-diyl)methanediyl]}bis[3,5-bis({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-1,3,5-triazinane-2,4,6-trione]
Molecular formula:
C104H171N19O19
IUPAC Name:
1,1'-{[5-({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinane-1,3-diyl]bis[(1,5,5-trimethylcyclohexane-3,1-diyl)methanediyl]}bis[3,5-bis({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-1,3,5-triazinane-2,4,6-trione]
Constituent 13
Chemical structure
Reference substance name:
butyl [({5-[3-(3-{[3-({5-[3,5-bis({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]-1,3,3-trimethylcyclohexyl}methyl)-5-({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl}-3,5,5-trimethylcyclohexyl)-5-({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]-1,3,3-trimethylcyclohexyl}methyl)carbamoyl]({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)carbamate
Molecular formula:
C120H199N21O22
IUPAC Name:
butyl [({5-[3-(3-{[3-({5-[3,5-bis({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]-1,3,3-trimethylcyclohexyl}methyl)-5-({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl}-3,5,5-trimethylcyclohexyl)-5-({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]-1,3,3-trimethylcyclohexyl}methyl)carbamoyl]({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)carbamate
Constituent 14
Chemical structure
Reference substance name:
1-(3-{[3,5-bis({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl}-3,5,5-trimethylcyclohexyl)-3-(3-{[3-({5-[3,5-bis({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]-1,3,3-trimethylcyclohexyl}methyl)-5-({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl}-3,5,5-trimethylcyclohexyl)-5-({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-1,3,5-triazinane-2,4,6-trione
Molecular formula:
C132H216N24O24
IUPAC Name:
1-(3-{[3,5-bis({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl}-3,5,5-trimethylcyclohexyl)-3-(3-{[3-({5-[3,5-bis({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]-1,3,3-trimethylcyclohexyl}methyl)-5-({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methyl}-3,5,5-trimethylcyclohexyl)-5-({5-[({[(E)-butan-2-ylideneamino]oxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)-1,3,5-triazinane-2,4,6-trione
Constituent 15