Registration Dossier

Identification

Chemical structure
Display Name:
Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime
EC Number:
617-779-3
CAS Number:
85940-94-9
Molecular formula:
Not applicable (UVCB substance)
IUPAC Name:
Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime

Type of substance

Composition:
UVCB
Origin:
organic

Total tonnage band

Total range:
1 000 - 10 000 tonnes per annum

REACH

Registered as:
FULL
Submitted:
Joint Submission

Publication dates

First published:
02-Apr-2011
Last modified:
30-Apr-2020

Chemical safety assessment

Performed for this substance:
YES

Compositions open all close all

Type:
legal entity composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
1,3,5-tris[6-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]hexyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
EC Number:
299-988-6
EC Name:
1,3,5-tris[6-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]hexyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
CAS Number:
93919-05-2
Molecular formula:
C36H63N9O9
IUPAC Name:
1,3,5-tris{6-[({[(1-methylpropylidene)amino]oxy}carbonyl)amino]hexyl}-1,3,5-triazinane-2,4,6-trione
Constituent 2
Chemical structure
Reference substance name:
butan-2-ylideneamino N-{6-[3-(6-{3,5-bis[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl}hexyl)-5-[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl}carbamate
Molecular formula:
C56H96N14O14
IUPAC Name:
butan-2-ylideneamino N-{6-[3-(6-{3,5-bis[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl}hexyl)-5-[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl}carbamate
Constituent 3
Chemical structure
Reference substance name:
butan-2-ylideneamino N-[6-(3-{6-[3-(6-{3,5-bis[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl}hexyl)-5-[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl}-5-[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]carbamate
Molecular formula:
C76H129N19O19
IUPAC Name:
butan-2-ylideneamino N-[6-(3-{6-[3-(6-{3,5-bis[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl}hexyl)-5-[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl}-5-[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]carbamate
Constituent 4
Reference substance name:
Not applicable
Molecular formula:
Not applicable
IUPAC Name:
Not applicable
Constituent 5
Chemical structure
Reference substance name:
butan-2-ylideneamino N-(6-{3-[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4-dioxo-1,3-diazetidin-1-yl}hexyl)carbamate
Molecular formula:
C24H42N6O6
IUPAC Name:
butan-2-ylideneamino N-(6-{3-[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4-dioxo-1,3-diazetidin-1-yl}hexyl)carbamate
Constituent 6
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 7
Chemical structure
Reference substance name:
Hexamethylene diisocyanate
EC Number:
212-485-8
EC Name:
Hexamethylene diisocyanate
CAS Number:
822-06-0
Molecular formula:
C8H12N2O2
IUPAC Name:
1,6-diisocyanatohexane
Type:
legal entity composition of the substance


Constituent 1
Chemical structure
Reference substance name:
Constituent 1 of Dekatol 155_Not applicable (UVCB substance)
Molecular formula:
C24H42N6O6
IUPAC Name:
Constituent 1 of Dekatol 155_Not applicable (UVCB substance)
Constituent 2
Chemical structure
Reference substance name:
Constituent 2 of Dekatol 155_Not applicable (UVCB substance)
Molecular formula:
C35H65N9O8
IUPAC Name:
Constituent 2 of Dekatol 155_Not applicable (UVCB substance)
Constituent 3
Chemical structure
Reference substance name:
Constituent 3_Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime
Molecular formula:
C36H63N9O9
IUPAC Name:
Constituent 3_Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime
Constituent 4
Reference substance name:
Constituent 4 of Dekatol 155_Not applicable (UVCB substance)
Molecular formula:
C40H66N10O10
IUPAC Name:
Constituent 4 of Dekatol 155_Not applicable (UVCB substance)
Constituent 5
Chemical structure
Reference substance name:
Constituent 5 of Dekatol 155_Not applicable (UVCB substance)
Molecular formula:
C56H96N14O14
IUPAC Name:
Constituent 5 of Dekatol 155_Not applicable (UVCB substance)
Constituent 6
Reference substance name:
Constituent 6 of Dekatol 155_Not applicable (UVCB substance)
Molecular formula:
C66H115N17O16
IUPAC Name:
Constituent 6 of Dekatol 155_Not applicable (UVCB substance)
Constituent 7
Chemical structure
Reference substance name:
Constituent 7 of Dekatol 155_Not applicable (UVCB substance)
Molecular formula:
C76H129N19O19
IUPAC Name:
Constituent 7 of Dekatol 155_Not applicable (UVCB substance)
Constituent 8
Reference substance name:
Constituent 8 of Dekatol 155_Not applicable (UVCB substance)
Molecular formula:
C52H93N11O12
IUPAC Name:
Constituent 8 of Dekatol 155_Not applicable (UVCB substance)
Constituent 9
Chemical structure
Reference substance name:
Constituent 9 of Dekatol 155_Not applicable (UVCB substance)
Molecular formula:
C96H162N24O24
IUPAC Name:
Constituent 9 of Dekatol 155_Not applicable (UVCB substance)
Constituent 10
Chemical structure
Reference substance name:
Constituent 10 of Dekatol 155_Not applicable (UVCB substance)
Molecular formula:
C116H195N29O29
IUPAC Name:
Constituent 10 of Dekatol 155_Not applicable (UVCB substance)
Type:
legal entity composition of the substance


Constituent 1
Chemical structure
Reference substance name:
1,3,5-tris[6-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]hexyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
EC Number:
299-988-6
EC Name:
1,3,5-tris[6-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]hexyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
CAS Number:
93919-05-2
Molecular formula:
C36H63N9O9
IUPAC Name:
1,3,5-tris{6-[({[(1-methylpropylidene)amino]oxy}carbonyl)amino]hexyl}-1,3,5-triazinane-2,4,6-trione
Constituent 2
Chemical structure
Reference substance name:
butan-2-ylideneamino N-{6-[3-(6-{3,5-bis[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl}hexyl)-5-[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl}carbamate
Molecular formula:
C56H96N14O14
IUPAC Name:
butan-2-ylideneamino N-{6-[3-(6-{3,5-bis[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl}hexyl)-5-[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl}carbamate
Constituent 3
Chemical structure
Reference substance name:
butan-2-ylideneamino N-[6-(3-{6-[3-(6-{3,5-bis[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl}hexyl)-5-[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl}-5-[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]carbamate
Molecular formula:
C76H129N19O19
IUPAC Name:
butan-2-ylideneamino N-[6-(3-{6-[3-(6-{3,5-bis[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl}hexyl)-5-[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexyl}-5-[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]carbamate
Constituent 4
Reference substance name:
HDI-Isocyanurate, 2-butanone oxime-blocked, n>=9 (n = number of HDI units in the substance; HDI = 1,6-diisocyanatohexane)
Molecular formula:
not applicable
IUPAC Name:
HDI-Isocyanurate, 2-butanone oxime-blocked, n>=9 (n = number of HDI units in the substance; HDI = 1,6-diisocyanatohexane)
Constituent 5
Chemical structure
Reference substance name:
butan-2-ylideneamino N-(6-{3-[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4-dioxo-1,3-diazetidin-1-yl}hexyl)carbamate
Molecular formula:
C24H42N6O6
IUPAC Name:
butan-2-ylideneamino N-(6-{3-[6-({[(butan-2-ylideneamino)oxy]carbonyl}amino)hexyl]-2,4-dioxo-1,3-diazetidin-1-yl}hexyl)carbamate
Constituent 6
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 7
Chemical structure
Reference substance name:
Hexamethylene diisocyanate
EC Number:
212-485-8
EC Name:
Hexamethylene diisocyanate
CAS Number:
822-06-0
Molecular formula:
C8H12N2O2
IUPAC Name:
1,6-diisocyanatohexane
Type:
legal entity composition of the substance
State Form:
solid: bulk


Constituent 1
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 2
Reference substance name:
Reaction product of HDI with 2-butanone oxime (n = 1)
Molecular formula:
C16H30N4O4
IUPAC Name:
Reaction product of HDI with 2-butanone oxime (n = 1)
Constituent 3
Reference substance name:
Reaction product of 2 mol HDI with 3 mol 2-butanone oxime
Molecular formula:
C28 H51 N7 O7
IUPAC Name:
Reaction product of 2 mol HDI with 3 mol 2-butanone oxime
Constituent 4
Reference substance name:
Reaction product of 3 mol HDI and 2-butanone oxime with traces of water
Molecular formula:
C35 H65 N9 O8
IUPAC Name:
Reaction product of 3 mol HDI and 2-butanone oxime with traces of water
Constituent 5
Reference substance name:
Reaction product of HDI trimer with 2 mol of 2-butanone oxime and 1 mol of butanol (impurity in process solvent butyl acetate)
Molecular formula:
C36 H64 N8 O9
IUPAC Name:
Reaction product of HDI trimer with 2 mol of 2-butanone oxime and 1 mol of butanol (impurity in process solvent butyl acetate)
Constituent 6
Reference substance name:
Reaction product of 4 mol of HDI with 4 mol of 2-butanone oxime
Molecular formula:
C48 H84 N12 O12
IUPAC Name:
Reaction product of 4 mol of HDI with 4 mol of 2-butanone oxime
Constituent 7
Reference substance name:
Reaction product of 5 mol of HDI with 4 mol of 2-butanone oxime and 1 mol of water; other structures / isomers are also possible
Molecular formula:
C55 H98 N14 O13
IUPAC Name:
Reaction product of 5 mol of HDI with 4 mol of 2-butanone oxime and 1 mol of water; other structures / isomers are also possible
Constituent 8
Reference substance name:
Reaction product of 11 mol HDI with 7 mol of 2-butanone oxime (n = 11)
Molecular formula:
C116 H195 N29 O29
IUPAC Name:
Reaction product of 11 mol HDI with 7 mol of 2-butanone oxime (n = 11)
Constituent 9
Reference substance name:
Reaction product of 9 mol HDI with 6 mol of 2-butanone oxime (n = 9)
Molecular formula:
C96 H162 N24 O24
IUPAC Name:
Reaction product of 9 mol HDI with 6 mol of 2-butanone oxime (n = 9)
Constituent 10
Reference substance name:
Reaction product of 7 mol HDI with 5 mol of 2-butanone oxime (n = 7)
Molecular formula:
C76 H129 N19 O19
IUPAC Name:
Reaction product of 7 mol HDI with 5 mol of 2-butanone oxime (n = 7)
Constituent 11
Reference substance name:
Reaction product of 5 mol HDI with 4 mol of 2-butanone oxime (n = 5)
Molecular formula:
C56 H96 N14 O14
IUPAC Name:
Reaction product of 5 mol HDI with 4 mol of 2-butanone oxime (n = 5)
Constituent 12
Chemical structure
Reference substance name:
1,3,5-tris[6-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]hexyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
EC Number:
299-988-6
EC Name:
1,3,5-tris[6-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]hexyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
CAS Number:
93919-05-2
Molecular formula:
C36H63N9O9
IUPAC Name:
1,3,5-tris{6-[({[(1-methylpropylidene)amino]oxy}carbonyl)amino]hexyl}-1,3,5-triazinane-2,4,6-trione
Type:
legal entity composition of the substance
State Form:
liquid


Constituent 1
Chemical structure
Reference substance name:
1,3,5-tris[6-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]hexyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
CAS Number:
93919-05-2
Molecular formula:
C36H63N9O9
IUPAC Name:
1,3,5-tris[6-[[[[(1-methylpropylidene)amino]oxy]carbonyl]amino]hexyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
Constituent 2
Chemical structure
Reference substance name:
HDI-Isocyanurate, 2-butanone oxime-blocked (n= 5)
Molecular formula:
C56H96N14O14
IUPAC Name:
HDI-Isocyanurate, 2-butanone oxime-blocked (n= 5)
Constituent 3
Chemical structure
Reference substance name:
HDI-Isocyanurate, 2-butanone oxime-blocked (n= 7)
Molecular formula:
C76H129N19O19
IUPAC Name:
HDI-Isocyanurate, 2-butanone oxime-blocked (n= 7)
Constituent 4
Chemical structure
Reference substance name:
Hexamethylene diisocyanate, oligomers, n>= 9, blocked with 2-butanone oxime and other possible structures
Molecular formula:
C96H162N24O24
IUPAC Name:
Hexamethylene diisocyanate, oligomers, n>= 9, blocked with 2-butanone oxime and other possible structures
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:
Hexamethylene diisocyanate
EC Number:
212-485-8
EC Name:
Hexamethylene diisocyanate
CAS Number:
822-06-0
Molecular formula:
C8H12N2O2
IUPAC Name:
1,6-diisocyanatohexane
Type:
legal entity composition of the substance


Constituent 1
Chemical structure
Reference substance name:
Constituent 1 of Dekatol 155_Not applicable (UVCB substance)
Molecular formula:
C24H42N6O6
IUPAC Name:
Constituent 1 of Dekatol 155_Not applicable (UVCB substance)
Constituent 2
Chemical structure
Reference substance name:
Constituent 2 of Dekatol 155_Not applicable (UVCB substance)
Molecular formula:
C35H65N9O8
IUPAC Name:
Constituent 2 of Dekatol 155_Not applicable (UVCB substance)
Constituent 3
Chemical structure
Reference substance name:
Constituent 3_Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime
Molecular formula:
C36H63N9O9
IUPAC Name:
Constituent 3_Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime
Constituent 4
Reference substance name:
Constituent 4 of Dekatol 155_Not applicable (UVCB substance)
Molecular formula:
C40H66N10O10
IUPAC Name:
Constituent 4 of Dekatol 155_Not applicable (UVCB substance)
Constituent 5
Chemical structure
Reference substance name:
Constituent 5 of Dekatol 155_Not applicable (UVCB substance)
Molecular formula:
C56H96N14O14
IUPAC Name:
Constituent 5 of Dekatol 155_Not applicable (UVCB substance)
Constituent 6
Reference substance name:
Constituent 6 of Dekatol 155_Not applicable (UVCB substance)
Molecular formula:
C66H115N17O16
IUPAC Name:
Constituent 6 of Dekatol 155_Not applicable (UVCB substance)
Constituent 7
Chemical structure
Reference substance name:
Constituent 7 of Dekatol 155_Not applicable (UVCB substance)
Molecular formula:
C76H129N19O19
IUPAC Name:
Constituent 7 of Dekatol 155_Not applicable (UVCB substance)
Constituent 8
Reference substance name:
Constituent 8 of Dekatol 155_Not applicable (UVCB substance)
Molecular formula:
C52H93N11O12
IUPAC Name:
Constituent 8 of Dekatol 155_Not applicable (UVCB substance)
Constituent 9