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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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:
    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
    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:
    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
    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

    Composition(s) generated upon use

    Other types of composition(s)