Registration Dossier

Identification

Chemical structure
Display Name:
9-Octadecenoic acid (Z)-, monoester with 1,2,3-propanetriol ester with boric acid (H3BO3)
EC Number:
264-092-6
EC Name:
9-Octadecenoic acid (Z)-, monoester with 1,2,3-propanetriol ester with boric acid (H3BO3)
CAS Number:
63310-16-7
Molecular formula:
C21H39O5B (based on the representative structure below)
IUPAC Name:
{2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propoxy}boronic acid 2-hydroxy-3-{[hydroxy({2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propoxy})boranyl]oxy}propyl (9Z)-octadec-9-enoate 3-{[bis({2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propoxy})boranyl]oxy}-2-hydroxypropyl (9Z)-octadec-9-enoate

Type of Substance

Composition:
UVCB
Origin:
organic

Substance Identifiers open all close all

  • PX 3872
  • Compositions

    Boundary Composition(s) open all close all

    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    9-Octadecenoic acid (Z)-, monoester with 1,2,3-propanetriol ester with boric acid (H3BO3)
    EC Number:
    264-092-6
    EC Name:
    9-Octadecenoic acid (Z)-, monoester with 1,2,3-propanetriol ester with boric acid (H3BO3)
    CAS Number:
    63310-16-7
    Molecular formula:
    C21H39O5B (based on the representative structure below)
    IUPAC Name:
    {2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propoxy}boronic acid 2-hydroxy-3-{[hydroxy({2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propoxy})boranyl]oxy}propyl (9Z)-octadec-9-enoate 3-{[bis({2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propoxy})boranyl]oxy}-2-hydroxypropyl (9Z)-octadec-9-enoate

    Legal Entity Composition(s) open all close all

    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    (9Z)-Octadec-9-enoic acid, monoester with 1,2,3-propanetriol
    Molecular formula:
    C21H40O4
    IUPAC Name:
    (9Z)-Octadec-9-enoic acid, monoester with 1,2,3-propanetriol
    Constituent 2
    Chemical structure
    Reference substance name:
    (5Z,8Z,11Z,14Z)-5,8,11,14-Eicosatetraenoic acid, monoester with 1,2,3-propanetriol
    Molecular formula:
    C23H38O4
    IUPAC Name:
    (5Z,8Z,11Z,14Z)-5,8,11,14-Eicosatetraenoic acid, monoester with 1,2,3-propanetriol
    Constituent 3
    Chemical structure
    Reference substance name:
    7Z,10Z,13Z,16Z-docosatetraenoic acid, monoester with 1,2,3-propanetriol
    Molecular formula:
    C25H42O4
    IUPAC Name:
    7Z,10Z,13Z,16Z-docosatetraenoic acid, monoester with 1,2,3-propanetriol
    Constituent 4
    Reference substance name:
    unknown constituent having a molecular formula identified as C21H30O2 (HPLC-MS)
    Molecular formula:
    C21H30O2
    IUPAC Name:
    unknown constituent having a molecular formula identified as C21H30O2 (HPLC-MS)
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    9-Octadecenoic acid (Z)-, monoester with 1,2,3-propanetriol
    Molecular formula:
    C21H40O4
    IUPAC Name:
    9-Octadecenoic acid (Z)-, monoester with 1,2,3-propanetriol
    Constituent 2
    Chemical structure
    Reference substance name:
    all-cis-5,8,11,14-Eicosatetraenoic acid, monoester with 1,2,3-propanetriol
    Molecular formula:
    C23H38O4
    IUPAC Name:
    all-cis-5,8,11,14-Eicosatetraenoic acid, monoester with 1,2,3-propanetriol
    Constituent 3
    Chemical structure
    Reference substance name:
    all-cis-7,10,13,16-docosatetraenoic acid, monoester with 1,2,3-propanetriol
    Molecular formula:
    C25H42O4
    IUPAC Name:
    all-cis-7,10,13,16-docosatetraenoic acid, monoester with 1,2,3-propanetriol
    Constituent 4
    Reference substance name:
    unknown constituent having a molecular formula identified as C21H30O2
    Molecular formula:
    C21H30O2
    IUPAC Name:
    unknown constituent having a molecular formula identified as C21H30O2
    Constituent 5
    Reference substance name:
    Unknown components
    Molecular formula:
    na
    IUPAC Name:
    Unknown components
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    9-Octadecenoic acid (Z)-, monoester with 1,2,3-propanetriol ester with boric acid (H3BO3)
    EC Number:
    264-092-6
    EC Name:
    9-Octadecenoic acid (Z)-, monoester with 1,2,3-propanetriol ester with boric acid (H3BO3)
    CAS Number:
    63310-16-7
    Molecular formula:
    C21H39O5B (based on the representative structure below)
    IUPAC Name:
    {2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propoxy}boronic acid 2-hydroxy-3-{[hydroxy({2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propoxy})boranyl]oxy}propyl (9Z)-octadec-9-enoate 3-{[bis({2-hydroxy-3-[(9Z)-octadec-9-enoyloxy]propoxy})boranyl]oxy}-2-hydroxypropyl (9Z)-octadec-9-enoate

    Composition(s) generated upon use

    Other types of composition(s)