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

Substance Identifiers open all close all

  • 1,6-Diisocyanatohexane homopolymer, Methylethylketone oxim-blocked
  • DESMODUR BL 3175 SN
  • Desmodur VP LS 2800
  • FND-4600
  • Tolonate® D2
  • Trixene DP9C/562
  • Uradur YB147
  • Compositions

    Boundary Composition(s) open all close all

    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

    Legal Entity Composition(s) open all close all

    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
    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:
    butane-1,3-diyl bis[{6-[({[(Z)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}({6-[({[(Z)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}carbamoyl)carbamate]
    Molecular formula:
    C52H94N12O14
    IUPAC Name:
    butane-1,3-diyl bis[{6-[({[(Z)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}({6-[({[(Z)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}carbamoyl)carbamate]
    Constituent 3
    Chemical structure
    Reference substance name:
    (3Z)-16-{6-[({[(Z)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}-3-methyl-6,15,17-trioxo-5,18-dioxa-4,7,14,16-tetraazadocos-3-en-21-yl {6-[({[(Z)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}{[6-(3-{6-[({[(E)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}-5-{6-[({[(Z)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]carbamoyl}carbamate (non-preferred name)
    Molecular formula:
    C72H127N17O19
    IUPAC Name:
    (3Z)-16-{6-[({[(Z)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}-3-methyl-6,15,17-trioxo-5,18-dioxa-4,7,14,16-tetraazadocos-3-en-21-yl {6-[({[(Z)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}{[6-(3-{6-[({[(E)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}-5-{6-[({[(Z)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}-2,4,6-trioxo-1,3,5-triazinan-1-yl)hexyl]carbamoyl}carbamate (non-preferred name)
    Constituent 4
    Chemical structure
    Reference substance name:
    1,1'-(hexane-1,6-diyl)bis(3,5-bis{6-[({[(E)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}-1,3,5-triazinane-2,4,6-trione)
    Molecular formula:
    C56H96N14O14
    IUPAC Name:
    1,1'-(hexane-1,6-diyl)bis(3,5-bis{6-[({[(E)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}-1,3,5-triazinane-2,4,6-trione)
    Constituent 5
    Chemical structure
    Reference substance name:
    1,1'-[(5-{6-[({[(E)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}-2,4,6-trioxo-1,3,5-triazinane-1,3-diyl)di(hexane-6,1-diyl)]bis(3,5-bis{6-[({[(E)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}-1,3,5-triazinane-2,4,6-trione)
    Molecular formula:
    C76H129N19O19
    IUPAC Name:
    1,1'-[(5-{6-[({[(E)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}-2,4,6-trioxo-1,3,5-triazinane-1,3-diyl)di(hexane-6,1-diyl)]bis(3,5-bis{6-[({[(E)-(butan-2-ylidene)amino]oxy}carbonyl)amino]hexyl}-1,3,5-triazinane-2,4,6-trione)
    Constituent 6
    Reference substance name:
    Unknown constituents
    Molecular formula:
    Not applicable
    IUPAC Name:
    Unknown constituents
    State Form:
    solid: particulate/powder


    Constituent 1
    Chemical structure
    Reference substance name:
    1 HDI trimer + 3 MEKO groups - component Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime
    Molecular formula:
    C36H63N9O9
    IUPAC Name:
    1 HDI trimer + 3 MEKO groups - component Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime
    Constituent 2
    Chemical structure
    Reference substance name:
    2 “HDI-bridged” HDI trimers + 4 MEKO groups component of Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime
    Molecular formula:
    C56H96N14O14
    IUPAC Name:
    2 “HDI-bridged” HDI trimers + 4 MEKO groups component of Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime
    Constituent 3
    Chemical structure
    Reference substance name:
    1 HDI trimer “less CO” + 3 MEKO groups component of Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime
    Molecular formula:
    C35H65N9O8
    IUPAC Name:
    1 HDI trimer “less CO” + 3 MEKO groups component of Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime
    Constituent 4
    Chemical structure
    Reference substance name:
    3 “HDI-bridged” HDI trimers + 5 MEKO groups component of Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime
    Molecular formula:
    C76H129N19O19
    IUPAC Name:
    3 “HDI-bridged” HDI trimers + 5 MEKO groups component of Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime
    Constituent 5
    Chemical structure
    Reference substance name:
    2 HDI dimer “less carbonyl” + 4 MEKO groups component of Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime
    Molecular formula:
    C55H98N14O13
    IUPAC Name:
    2 HDI dimer “less carbonyl” + 4 MEKO groups component of Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime
    Constituent 6
    Chemical structure
    Reference substance name:
    Unknown structure 1 Component of Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime
    Molecular formula:
    C87H152N22O20
    IUPAC Name:
    Unknown structure 1 Component of Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime
    Constituent 7
    Chemical structure
    Reference substance name:
    Unknown structure 2 - Component of Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime
    Molecular formula:
    C36H64N8O9
    IUPAC Name:
    Unknown structure 2 - Component of Hexamethylene diisocyanate, oligomerisation product, blocked with 2-butanone oxime
    Constituent 8