Registration Dossier

Identification

Display Name:
Fatty acids, C18-unsatd., mono- and diesters with neopentylglycol and di-and triesters with trimethylolpropane
EC Number:
812-656-2
CAS Number:
85186-92-1
Molecular formula:
Not applicable, substance is a UVCB.
IUPAC Name:
Fatty acids, C18-unsatd., mono- and diesters with neopentylglycol and di-and triesters with trimethylolpropane

Type of Substance

Composition:
UVCB
Origin:
organic

Substance Identifiers open all close all

  • NPG/TMP ester
  • Compositions

    Boundary Composition(s) open all close all

    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    2,2-dimethyl-1,3-propanediyl dioleate
    EC Number:
    255-713-1
    EC Name:
    2,2-dimethyl-1,3-propanediyl dioleate
    CAS Number:
    42222-50-4
    Molecular formula:
    C41H76O4
    IUPAC Name:
    2,2-dimethylpropane-1,3-diyl bisoctadec-9-enoate
    Constituent 2
    Chemical structure
    Reference substance name:
    2-ethyl-2-[[(1-oxooleyl)oxy]methyl]-1,3-propanediyl dioleate
    EC Number:
    260-895-0
    EC Name:
    2-ethyl-2-[[(1-oxooleyl)oxy]methyl]-1,3-propanediyl dioleate
    CAS Number:
    57675-44-2
    Molecular formula:
    C60H110O6
    IUPAC Name:
    2,2-bis[(oleoyloxy)methyl]butyl octadec-9-enoate (non-preferred name)
    Constituent 3
    Chemical structure
    Reference substance name:
    2-(hydroxymethyl)-2-{[(9Z)-octadec-9-enoyloxy]methyl}butyl (9Z)-octadec-9-enoate
    Molecular formula:
    C42H78O5
    IUPAC Name:
    2-(hydroxymethyl)-2-{[(9Z)-octadec-9-enoyloxy]methyl}butyl (9Z)-octadec-9-enoate
    Constituent 4
    Chemical structure
    Reference substance name:
    9-Octadecenoic acid (Z)-, ester with 2,2-dimethyl-1,3-propanediol
    EC Number:
    268-008-9
    EC Name:
    9-Octadecenoic acid (Z)-, ester with 2,2-dimethyl-1,3-propanediol
    CAS Number:
    67989-24-6
    Molecular formula:
    C23H44O3
    IUPAC Name:
    3-hydroxy-2,2-dimethylpropyl octadec-9-enoate
    Constituent 5
    Chemical structure
    Reference substance name:
    (Z)-2-ethyl-2-2(palmitoyloxymethyl)propane-1,3-diyl dioleate
    Molecular formula:
    C58H108O6
    IUPAC Name:
    (Z)-2-ethyl-2-2(palmitoyloxymethyl)propane-1,3-diyl dioleate
    Constituent 6
    Chemical structure
    Reference substance name:
    3-(hexadecanoyloxy)-2,2-dimethylpropyl (9Z)-octadec-9-enoate
    Molecular formula:
    C39H74O4
    IUPAC Name:
    3-(hexadecanoyloxy)-2,2-dimethylpropyl (9Z)-octadec-9-enoate
    Constituent 7
    Chemical structure
    Reference substance name:
    2-(hydroxymethyl)-2-(palmitoyloxymethyl)butyl oleate
    Molecular formula:
    C40H76O5
    IUPAC Name:
    2-(hydroxymethyl)-2-(palmitoyloxymethyl)butyl oleate
    Constituent 8
    Chemical structure
    Reference substance name:
    3-hydroxy-2,2-dimethylpropyl hexadecanoate
    Molecular formula:
    C21H42O3
    IUPAC Name:
    3-hydroxy-2,2-dimethylpropyl hexadecanoate

    Legal Entity Composition(s) open all close all

    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    2,2-dimethyl-1,3-propanediyl dioleate
    EC Number:
    255-713-1
    EC Name:
    2,2-dimethyl-1,3-propanediyl dioleate
    CAS Number:
    42222-50-4
    Molecular formula:
    C41H76O4
    IUPAC Name:
    2,2-dimethylpropane-1,3-diyl bisoctadec-9-enoate
    Constituent 2
    Chemical structure
    Reference substance name:
    2-ethyl-2-[[(1-oxooleyl)oxy]methyl]-1,3-propanediyl dioleate
    EC Number:
    260-895-0
    EC Name:
    2-ethyl-2-[[(1-oxooleyl)oxy]methyl]-1,3-propanediyl dioleate
    CAS Number:
    57675-44-2
    Molecular formula:
    C60H110O6
    IUPAC Name:
    2,2-bis[(oleoyloxy)methyl]butyl octadec-9-enoate (non-preferred name)
    Constituent 3
    Chemical structure
    Reference substance name:
    2-(hydroxymethyl)-2-{[(9Z)-octadec-9-enoyloxy]methyl}butyl (9Z)-octadec-9-enoate
    Molecular formula:
    C42H78O5
    IUPAC Name:
    2-(hydroxymethyl)-2-{[(9Z)-octadec-9-enoyloxy]methyl}butyl (9Z)-octadec-9-enoate
    Constituent 4
    Chemical structure
    Reference substance name:
    9-Octadecenoic acid (Z)-, ester with 2,2-dimethyl-1,3-propanediol
    EC Number:
    268-008-9
    EC Name:
    9-Octadecenoic acid (Z)-, ester with 2,2-dimethyl-1,3-propanediol
    CAS Number:
    67989-24-6
    Molecular formula:
    C23H44O3
    IUPAC Name:
    3-hydroxy-2,2-dimethylpropyl octadec-9-enoate
    Constituent 5
    Chemical structure
    Reference substance name:
    (Z)-2-ethyl-2-2(palmitoyloxymethyl)propane-1,3-diyl dioleate
    Molecular formula:
    C58H108O6
    IUPAC Name:
    (Z)-2-ethyl-2-2(palmitoyloxymethyl)propane-1,3-diyl dioleate
    Constituent 6
    Chemical structure
    Reference substance name:
    3-(hexadecanoyloxy)-2,2-dimethylpropyl (9Z)-octadec-9-enoate
    Molecular formula:
    C39H74O4
    IUPAC Name:
    3-(hexadecanoyloxy)-2,2-dimethylpropyl (9Z)-octadec-9-enoate
    Constituent 7
    Chemical structure
    Reference substance name:
    2-(hydroxymethyl)-2-(palmitoyloxymethyl)butyl oleate
    Molecular formula:
    C40H76O5
    IUPAC Name:
    2-(hydroxymethyl)-2-(palmitoyloxymethyl)butyl oleate
    Constituent 8
    Chemical structure
    Reference substance name:
    3-hydroxy-2,2-dimethylpropyl hexadecanoate
    Molecular formula:
    C21H42O3
    IUPAC Name:
    3-hydroxy-2,2-dimethylpropyl hexadecanoate
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    9-Octadecenoic acid (Z)-, ester with 2,2-dimethyl-1,3-propanediol
    EC Number:
    268-008-9
    EC Name:
    9-Octadecenoic acid (Z)-, ester with 2,2-dimethyl-1,3-propanediol
    CAS Number:
    67989-24-6
    Molecular formula:
    C23H44O3
    IUPAC Name:
    3-hydroxy-2,2-dimethylpropyl octadec-9-enoate
    Constituent 2
    Reference substance name:
    Neopentylglygol diesters with C12-C14
    Molecular formula:
    C31H58O4
    IUPAC Name:
    Neopentylglygol diesters with C12-C14
    Constituent 3
    Reference substance name:
    Neopentylglycol, diester with C14
    Molecular formula:
    C33H62O4
    IUPAC Name:
    Neopentylglycol, diester with C14
    Constituent 4
    Reference substance name:
    Neopentylglycol, diester with C18-C19
    Molecular formula:
    C43H82O4
    IUPAC Name:
    Neopentylglycol, diester with C18-C19
    Constituent 5
    Chemical structure
    Reference substance name:
    2,2-dimethyl-1,3-propanediyl dioleate
    EC Number:
    255-713-1
    EC Name:
    2,2-dimethyl-1,3-propanediyl dioleate
    CAS Number:
    42222-50-4
    Molecular formula:
    C41H76O4
    IUPAC Name:
    2,2-dimethylpropane-1,3-diyl bisoctadec-9-enoate
    Constituent 6
    Chemical structure
    Reference substance name:
    2-ethyl-2-[[(1-oxooleyl)oxy]methyl]-1,3-propanediyl dioleate
    EC Number:
    260-895-0
    EC Name:
    2-ethyl-2-[[(1-oxooleyl)oxy]methyl]-1,3-propanediyl dioleate
    CAS Number:
    57675-44-2
    Molecular formula:
    C60H110O6
    IUPAC Name:
    2,2-bis[(oleoyloxy)methyl]butyl octadec-9-enoate (non-preferred name)
    Constituent 7
    Reference substance name:
    Unknown
    IUPAC Name:
    Unknown

    Composition(s) generated upon use

    Other types of composition(s)