1,1'-Methylenebis(4-isocyanatobenzene) and 1,1'-methylenebis(4-isocyanatobenzene) homopolymer and their reaction products with [(methylethylene)bis(oxy)]dipropanol and butane-1,3-diol and propane-1,2-diol

Substance identity

Identification

Display Name:

1,1'-Methylenebis(4-isocyanatobenzene) and 1,1'-methylenebis(4-isocyanatobenzene) homopolymer and their reaction products with [(methylethylene)bis(oxy)]dipropanol and butane-1,3-diol and propane-1,2-diol

EC Number:

701-393-8

Molecular formula:

NCO.(C29H20N4O2)x.C13H10.[(C24H30N2O6).(C29H20N4O2)y]n.NCO and NCO.(C29H20N4O2)x.C13H10.[(C19H20N2O4).(C29H20N4O2)y]n.NCO and NCO.(C29H20N4O2)x.C13H10.[(C18H18N2O4).(C29H20N4O2)y]n.NCO n = 0-2, x = y = 0-1

IUPAC Name:

1,1'-Methylenebis(4-isocyanatobenzene) and 1,1'-methylenebis(4-isocyanatobenzene) homopolymer and their reaction products with [(methylethylene)bis(oxy)]dipropanol and butane-1,3-diol and propane-1,2-diol

Type of Substance

Composition:

UVCB

Origin:

organic

Compositions

Boundary Composition(s)

Boundary

State Form:

liquid

Constituent 1

Reference substance name:

4,4'-methylenediphenyl diisocyanate

EC Number:

202-966-0

EC Name:

4,4'-methylenediphenyl diisocyanate

CAS Number:

101-68-8

Molecular formula:

C15H10N2O2

IUPAC Name:

1,1'-methylenebis(4-isocyanatobenzene)

Constituent 2

Reference substance name:

o-(p-isocyanatobenzyl)phenyl isocyanate

EC Number:

227-534-9

EC Name:

o-(p-isocyanatobenzyl)phenyl isocyanate

CAS Number:

5873-54-1

Molecular formula:

C15H10N2O2

IUPAC Name:

1-isocyanato-2-(4-isocyanatobenzyl)benzene

Constituent 3

Reference substance name:

2,2'-methylenediphenyl diisocyanate

EC Number:

219-799-4

EC Name:

2,2'-methylenediphenyl diisocyanate

CAS Number:

2536-05-2

Molecular formula:

C15H10N2O2

IUPAC Name:

1,1'-methylenebis(2-isocyanatobenzene)

Constituent 4

Reference substance name:

First adduct of 1,1'-Methylenebis(4-isocyanatobenzene) with [(methylethylene)bis(oxy)]dipropanol, butane-1,3-diol and propylene glycol

Molecular formula:

C14 H10 NO (C15 H12 N2 O2 R)n NCO where R = C4 H8 O2 or C9 H18 O4 or C3 H6 O2, n = 1

IUPAC Name:

First adduct of 1,1'-Methylenebis(4-isocyanatobenzene) with [(methylethylene)bis(oxy)]dipropanol, butane-1,3-diol and propylene glycol

Constituent 5

Reference substance name:

Second adduct of 1,1'-Methylenebis(4-isocyanatobenzene) with [(methylethylene)bis(oxy)]dipropanol, butane-1,3-diol and propylene glycol

Molecular formula:

C14 H10 NO (C15 H12 N2 O2 R)n NCO where R = C4 H8 O2 or C9 H18 O4 or C3 H6 O2, n = 2

IUPAC Name:

Second adduct of 1,1'-Methylenebis(4-isocyanatobenzene) with [(methylethylene)bis(oxy)]dipropanol, butane-1,3-diol and propylene glycol

Constituent 6

Reference substance name:

1,1'-methylenebis(4-isocyanatobenzene) homopolymer - First uretonimine condensation adduct (n=1)

Molecular formula:

C14 H10 N O [C29 H20 N4 O2]n NCO, n=1

IUPAC Name:

1,1'-methylenebis(4-isocyanatobenzene) homopolymer - First uretonimine condensation adduct (n=1)

Constituent 7

Reference substance name:

First adduct of 1,1'-methylenebis(4-isocyanatobenzene) homopolymer with [(methylethylene)bis(oxy)]dipropanol, butane-1,3-diol and propylene glycol

Molecular formula:

NCO.(C29H20N4O2)x.C13H10.[(C24H30N2O6).(C29H20N4O2)y]n.NCO and NCO.(C29H20N4O2)x.C13H10.[(C19H20N2O4).(C29H20N4O2)y]n.NCO and NCO.(C29H20N4O2)x.C13H10.[(C18H18N2O4).(C29H20N4O2)y]n.NCO n=1, x = y = 1

IUPAC Name:

First adduct of 1,1'-methylenebis(4-isocyanatobenzene) homopolymer with [(methylethylene)bis(oxy)]dipropanol, butane-1,3-diol and propylene glycol

Constituent 8

Reference substance name:

Second adduct of 1,1'-methylenebis(4-isocyanatobenzene) homopolymer with [(methylethylene)bis(oxy)]dipropanol, butane-1,3-diol and propylene glycol

Molecular formula:

NCO.(C29H20N4O2)x.C13H10.[(C24H30N2O6).(C29H20N4O2)y]n. NCO and NCO.(C29H20N4O2)x.C13H10.[(C19H20N2O4).(C29H20N4O2)y]n.NCO and NCO.(C29H20N4O2)x.C13H10.[(C18H18N2O4).(C29H20N4O2)y]n.NCO n = 2, x = y = 1

IUPAC Name:

Second adduct of 1,1'-methylenebis(4-isocyanatobenzene) homopolymer with [(methylethylene)bis(oxy)]dipropanol, butane-1,3-diol and propylene glycol

Constituent 9

Reference substance name:

Unknown impurities

IUPAC Name:

Unknown impurities

Legal Entity Composition(s)

1,1'-Methylenebis(4-isocyanatobenzene) and 1,1'-methylenebis(4-isocyanatobenzene) homopolymer and their reaction products with [(methylethylene)bis(oxy)]dipropanol and butane-1,3-diol and propane-1,2-diol

State Form:

liquid

Constituent 1

Reference substance name:

4,4'-methylenediphenyl diisocyanate

EC Number:

202-966-0

EC Name:

4,4'-methylenediphenyl diisocyanate

CAS Number:

101-68-8

Molecular formula:

C15H10N2O2

IUPAC Name:

1,1'-methylenebis(4-isocyanatobenzene)

Constituent 2

Reference substance name:

o-(p-isocyanatobenzyl)phenyl isocyanate

EC Number:

227-534-9

EC Name:

o-(p-isocyanatobenzyl)phenyl isocyanate

CAS Number:

5873-54-1

Molecular formula:

C15H10N2O2

IUPAC Name:

1-isocyanato-2-(4-isocyanatobenzyl)benzene

Constituent 3

Reference substance name:

2,2'-methylenediphenyl diisocyanate

EC Number:

219-799-4

EC Name:

2,2'-methylenediphenyl diisocyanate

CAS Number:

2536-05-2

Molecular formula:

C15H10N2O2

IUPAC Name:

1,1'-methylenebis(2-isocyanatobenzene)

Constituent 4

Reference substance name:

First adduct of 1,1'-Methylenebis(4-isocyanatobenzene) with [(methylethylene)bis(oxy)]dipropanol, butane-1,3-diol and propylene glycol

Molecular formula:

C14 H10 NO (C15 H12 N2 O2 R)n NCO where R = C4 H8 O2 or C9 H18 O4 or C3 H6 O2, n = 1

IUPAC Name:

First adduct of 1,1'-Methylenebis(4-isocyanatobenzene) with [(methylethylene)bis(oxy)]dipropanol, butane-1,3-diol and propylene glycol

Constituent 5