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Diss Factsheets

Identification

Chemical structure
Display Name:
Fatty acids, coco, 2-sulfoethyl esters, sodium salts
EC Number:
263-052-5
EC Name:
Fatty acids, coco, 2-sulfoethyl esters, sodium salts
CAS Number:
61789-32-0
Molecular formula:
UVCB substance
IUPAC Name:
sodium 2-(cocoyloxy)ethanesulfonate

Type of Substance

Composition:
UVCB
Origin:
organic

Substance Identifiers open all close all

  • PUREACT I-78C
  • Pureact I-85C
  • Pureact I-85F
  • Sodium cocoyl isethionate
  • Compositions

    Boundary Composition(s) open all close all

    State Form:
    solid: bulk


    Constituent 1
    Chemical structure
    Reference substance name:
    sodium 2-(hexanoyloxy)ethanesulfonate
    Molecular formula:
    C8H15NaO5S
    IUPAC Name:
    sodium 2-(hexanoyloxy)ethanesulfonate
    Constituent 2
    Chemical structure
    Reference substance name:
    sodium 2-(octanoyloxy)ethanesulfonate
    Molecular formula:
    C10H19O5S.Na
    IUPAC Name:
    sodium 2-(octanoyloxy)ethanesulfonate
    Constituent 3
    Chemical structure
    Reference substance name:
    sodium 2-(decanoyloxy)ethanesulfonate
    Molecular formula:
    C12H23O5S.Na
    IUPAC Name:
    sodium 2-(decanoyloxy)ethanesulfonate
    Constituent 4
    Chemical structure
    Reference substance name:
    sodium 2-(dodecanoyloxy)ethanesulfonate
    Molecular formula:
    C14H27O5S.Na
    IUPAC Name:
    sodium 2-(dodecanoyloxy)ethanesulfonate
    Constituent 5
    Chemical structure
    Reference substance name:
    sodium 2-(tetradecanoyloxy)ethanesulfonate
    Molecular formula:
    C16H31O5S.Na
    IUPAC Name:
    sodium 2-(tetradecanoyloxy)ethanesulfonate
    Constituent 6
    Chemical structure
    Reference substance name:
    sodium 2-(hexadecanoyloxy)ethanesulfonate
    Molecular formula:
    C18H35O5S.Na
    IUPAC Name:
    sodium 2-(hexadecanoyloxy)ethanesulfonate
    Constituent 7
    Chemical structure
    Reference substance name:
    sodium 2-(octadecanoyloxy)ethanesulfonate
    Molecular formula:
    C20H39O5S.Na
    IUPAC Name:
    sodium 2-(octadecanoyloxy)ethanesulfonate
    Constituent 8
    Chemical structure
    Reference substance name:
    sodium 2-[(9Z)-octadec-9-enoyloxy]ethanesulfonate
    Molecular formula:
    C20H37O5S.Na
    IUPAC Name:
    sodium 2-[(9Z)-octadec-9-enoyloxy]ethanesulfonate
    Constituent 9
    Reference substance name:
    Fatty acids, coco
    EC Number:
    262-978-7
    EC Name:
    Fatty acids, coco
    CAS Number:
    61788-47-4
    Molecular formula:
    unspecified UVCB substance
    IUPAC Name:
    Cocoalkyl fatty acid
    Constituent 10
    Chemical structure
    Reference substance name:
    Sodium 2-hydroxyethanesulphonate
    EC Number:
    216-343-6
    EC Name:
    Sodium 2-hydroxyethanesulphonate
    CAS Number:
    1562-00-1
    Molecular formula:
    C2H6O4S.Na
    IUPAC Name:
    sodium 2-hydroxyethanesulfonate
    Constituent 11
    Chemical structure
    Reference substance name:
    Sodium ethylenesulphonate
    EC Number:
    221-242-5
    EC Name:
    Sodium ethylenesulphonate
    CAS Number:
    3039-83-6
    Molecular formula:
    C2H4O3S.Na
    IUPAC Name:
    sodium ethenesulfonate

    Legal Entity Composition(s) open all close all

    State Form:
    solid: bulk


    Constituent 1
    Chemical structure
    Reference substance name:
    sodium 2-(hexanoyloxy)ethanesulfonate
    Molecular formula:
    C8H15NaO5S
    IUPAC Name:
    sodium 2-(hexanoyloxy)ethanesulfonate
    Constituent 2
    Chemical structure
    Reference substance name:
    sodium 2-(octanoyloxy)ethanesulfonate
    Molecular formula:
    C10H19O5S.Na
    IUPAC Name:
    sodium 2-(octanoyloxy)ethanesulfonate
    Constituent 3
    Chemical structure
    Reference substance name:
    sodium 2-(decanoyloxy)ethanesulfonate
    Molecular formula:
    C12H23O5S.Na
    IUPAC Name:
    sodium 2-(decanoyloxy)ethanesulfonate
    Constituent 4
    Chemical structure
    Reference substance name:
    sodium 2-(dodecanoyloxy)ethanesulfonate
    Molecular formula:
    C14H27O5S.Na
    IUPAC Name:
    sodium 2-(dodecanoyloxy)ethanesulfonate
    Constituent 5
    Chemical structure
    Reference substance name:
    sodium 2-(tetradecanoyloxy)ethanesulfonate
    Molecular formula:
    C16H31O5S.Na
    IUPAC Name:
    sodium 2-(tetradecanoyloxy)ethanesulfonate
    Constituent 6
    Chemical structure
    Reference substance name:
    sodium 2-(hexadecanoyloxy)ethanesulfonate
    Molecular formula:
    C18H35O5S.Na
    IUPAC Name:
    sodium 2-(hexadecanoyloxy)ethanesulfonate
    Constituent 7
    Chemical structure
    Reference substance name:
    sodium 2-(octadecanoyloxy)ethanesulfonate
    Molecular formula:
    C20H39O5S.Na
    IUPAC Name:
    sodium 2-(octadecanoyloxy)ethanesulfonate
    Constituent 8
    Chemical structure
    Reference substance name:
    sodium 2-[(9Z)-octadec-9-enoyloxy]ethanesulfonate
    Molecular formula:
    C20H37O5S.Na
    IUPAC Name:
    sodium 2-[(9Z)-octadec-9-enoyloxy]ethanesulfonate
    Constituent 9
    Reference substance name:
    Fatty acids, coco
    EC Number:
    262-978-7
    EC Name:
    Fatty acids, coco
    CAS Number:
    61788-47-4
    Molecular formula:
    unspecified UVCB substance
    IUPAC Name:
    Cocoalkyl fatty acid
    Constituent 10
    Chemical structure
    Reference substance name:
    Sodium 2-hydroxyethanesulphonate
    EC Number:
    216-343-6
    EC Name:
    Sodium 2-hydroxyethanesulphonate
    CAS Number:
    1562-00-1
    Molecular formula:
    C2H6O4S.Na
    IUPAC Name:
    sodium 2-hydroxyethanesulfonate
    Constituent 11
    Chemical structure
    Reference substance name:
    Sodium ethylenesulphonate
    EC Number:
    221-242-5
    EC Name:
    Sodium ethylenesulphonate
    CAS Number:
    3039-83-6
    Molecular formula:
    C2H4O3S.Na
    IUPAC Name:
    sodium ethenesulfonate
    Constituent 12
    Chemical structure
    Reference substance name:
    disodium 2,2'-oxydiethanesulfonate
    Molecular formula:
    C4H8Na2O7S2
    IUPAC Name:
    disodium 2,2'-oxydiethanesulfonate
    State Form:
    other: pellets


    Constituent 1
    Chemical structure
    Reference substance name:
    sodium 2-(octanoyloxy)ethanesulfonate
    Molecular formula:
    C10H19O5S.Na
    IUPAC Name:
    sodium 2-(octanoyloxy)ethanesulfonate
    Constituent 2
    Chemical structure
    Reference substance name:
    sodium 2-(decanoyloxy)ethanesulfonate
    Molecular formula:
    C12H23O5S.Na
    IUPAC Name:
    sodium 2-(decanoyloxy)ethanesulfonate
    Constituent 3
    Chemical structure
    Reference substance name:
    Sodium 2-sulphonatoethyl laurate
    EC Number:
    230-949-8
    EC Name:
    Sodium 2-sulphonatoethyl laurate
    CAS Number:
    7381-01-3
    Molecular formula:
    C14H27O5S.Na
    IUPAC Name:
    sodium 2-(dodecanoyloxy)ethanesulfonate
    Constituent 4
    Chemical structure
    Reference substance name:
    sodium 2-(tetradecanoyloxy)ethanesulfonate
    Molecular formula:
    C16H31O5S.Na
    IUPAC Name:
    sodium 2-(tetradecanoyloxy)ethanesulfonate
    Constituent 5
    Chemical structure
    Reference substance name:
    sodium 2-(hexadecanoyloxy)ethanesulfonate
    Molecular formula:
    C18H35O5S.Na
    IUPAC Name:
    sodium 2-(hexadecanoyloxy)ethanesulfonate
    Constituent 6
    Chemical structure
    Reference substance name:
    sodium 2-(octadecanoyloxy)ethanesulfonate
    Molecular formula:
    C20H39O5S.Na
    IUPAC Name:
    sodium 2-(octadecanoyloxy)ethanesulfonate
    State Form:
    other: Solid (noodles)


    Constituent 1
    Reference substance name:
    impurities not relevant to classification
    Molecular formula:
    impurities not relevant to classification
    IUPAC Name:
    impurities not relevant to classification
    Constituent 2
    Chemical structure
    Reference substance name:
    sodium 2-(octadecanoyloxy)ethanesulfonate
    Molecular formula:
    C20H39O5S.Na
    IUPAC Name:
    sodium 2-(octadecanoyloxy)ethanesulfonate
    Constituent 3
    Chemical structure
    Reference substance name:
    sodium 2-(hexadecanoyloxy)ethanesulfonate
    Molecular formula:
    C18H35O5S.Na
    IUPAC Name:
    sodium 2-(hexadecanoyloxy)ethanesulfonate
    Constituent 4
    Chemical structure
    Reference substance name:
    sodium 2-(tetradecanoyloxy)ethanesulfonate
    Molecular formula:
    C16H31O5S.Na
    IUPAC Name:
    sodium 2-(tetradecanoyloxy)ethanesulfonate
    Constituent 5
    Chemical structure
    Reference substance name:
    sodium 2-(dodecanoyloxy)ethanesulfonate
    Molecular formula:
    C14H27O5S.Na
    IUPAC Name:
    sodium 2-(dodecanoyloxy)ethanesulfonate
    Constituent 6
    Chemical structure
    Reference substance name:
    sodium 2-(decanoyloxy)ethanesulfonate
    Molecular formula:
    C12H23O5S.Na
    IUPAC Name:
    sodium 2-(decanoyloxy)ethanesulfonate
    Constituent 7
    Chemical structure
    Reference substance name:
    sodium 2-(octanoyloxy)ethanesulfonate
    Molecular formula:
    C10H19O5S.Na
    IUPAC Name:
    sodium 2-(octanoyloxy)ethanesulfonate
    Constituent 8
    Chemical structure
    Reference substance name:
    sodium 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate
    CAS Number:
    1562-00-1
    Molecular formula:
    C2H6O4S.Na
    IUPAC Name:
    sodium 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxobutane-2-sulfonate
    Constituent 9
    Chemical structure
    Reference substance name:
    sodium ethylenesulphonate
    CAS Number:
    3039-83-6
    Molecular formula:
    C2H4O3S.Na
    IUPAC Name:
    sodium ethylenesulphonate
    State Form:
    solid: bulk


    Constituent 1
    Chemical structure
    Reference substance name:
    Octanoic acid, 2-sulfoethyl ester, sodium salt (1:1)
    CAS Number:
    38207-61-3
    Molecular formula:
    C10 H19 O5 S Na
    IUPAC Name:
    Octanoic acid, 2-sulfoethyl ester, sodium salt (1:1)
    Constituent 2
    Chemical structure
    Reference substance name:
    Sodium 2-sulphoethyl decanoate
    EC Number:
    249-638-3
    EC Name:
    Sodium 2-sulphoethyl decanoate
    CAS Number:
    29454-06-6
    Molecular formula:
    C12H24O5S.Na
    IUPAC Name:
    sodium 2-sulphoethyl decanoate
    Constituent 3
    Chemical structure
    Reference substance name:
    Sodium 2-sulphonatoethyl laurate
    EC Number:
    230-949-8
    EC Name:
    Sodium 2-sulphonatoethyl laurate
    CAS Number:
    7381-01-3
    Molecular formula:
    C14H27O5S.Na
    IUPAC Name:
    sodium 2-(dodecanoyloxy)ethanesulfonate
    Constituent 4
    Chemical structure
    Reference substance name:
    Tetradecanoic acid, 2-sulfoethyl ester, sodium salt (1:1)
    CAS Number:
    37747-10-7
    Molecular formula:
    C16 H31 O5 S Na
    IUPAC Name:
    Tetradecanoic acid, 2-sulfoethyl ester, sodium salt (1:1)
    Constituent 5
    Chemical structure
    Reference substance name:
    Sodium 2-(palmitoyloxy)ethane-1-sulphonate
    EC Number:
    253-273-5
    EC Name:
    Sodium 2-(palmitoyloxy)ethane-1-sulphonate
    CAS Number:
    36915-65-8
    Molecular formula:
    C18H36O5S.Na
    IUPAC Name:
    sodium 2-(palmitoyloxy)ethanesulfonate
    Constituent 6
    Chemical structure
    Reference substance name:
    Sodium 2-sulphonatoethyl hydrogen stearate
    EC Number:
    249-785-3
    EC Name:
    Sodium 2-sulphonatoethyl hydrogen stearate
    CAS Number:
    29703-73-9
    Molecular formula:
    C20H40O5S.Na
    IUPAC Name:
    sodium 2-(stearoyloxy)ethanesulfonate
    Constituent 7
    Chemical structure
    Reference substance name:
    Octadecenoic acid, 2-sulfoethyl ester, sodium salt (1:1)
    Molecular formula:
    C20 H37 O5 S Na
    IUPAC Name:
    Octadecenoic acid, 2-sulfoethyl ester, sodium salt (1:1)
    Constituent 8
    Reference substance name:
    Free fatty acids and their salts
    Molecular formula:
    no molecular formula
    IUPAC Name:
    Free fatty acids and their salts
    Constituent 9
    Chemical structure
    Reference substance name:
    Sodium 2-hydroxyethanesulphonate
    EC Number:
    216-343-6
    EC Name:
    Sodium 2-hydroxyethanesulphonate
    CAS Number:
    1562-00-1
    Molecular formula:
    C2H6O4S.Na
    IUPAC Name:
    sodium 2-hydroxyethanesulfonate
    Constituent 10
    Chemical structure
    Reference substance name:
    Sodium ethylenesulphonate
    EC Number:
    221-242-5
    EC Name:
    Sodium ethylenesulphonate
    CAS Number:
    3039-83-6
    Molecular formula:
    C2H4O3S.Na
    IUPAC Name:
    sodium ethenesulfonate
    Constituent 11
    Chemical structure
    Reference substance name:
    Ethylene dilaurate
    EC Number:
    210-827-0
    EC Name:
    Ethylene dilaurate
    CAS Number:
    624-04-4
    Molecular formula:
    C26H50O4
    IUPAC Name:
    ethane-1,2-diyl didodecanoate
    Constituent 12
    Chemical structure
    Reference substance name:
    Water
    EC Number:
    231-791-2
    EC Name:
    Water
    CAS Number:
    7732-18-5
    Molecular formula:
    H2O
    IUPAC Name:
    water
    State Form:
    solid: particulate/powder


    Constituent 1
    Chemical structure
    Reference substance name:
    sodium 2-(octanoyloxy)ethanesulfonate
    Molecular formula:
    C10H19O5S.Na
    IUPAC Name:
    sodium 2-(octanoyloxy)ethanesulfonate
    Constituent 2
    Chemical structure
    Reference substance name:
    sodium 2-(decanoyloxy)ethanesulfonate
    Molecular formula:
    C12H23O5S.Na
    IUPAC Name:
    sodium 2-(decanoyloxy)ethanesulfonate
    Constituent 3
    Chemical structure
    Reference substance name:
    sodium 2-(dodecanoyloxy)ethanesulfonate
    Molecular formula:
    C14H27O5S.Na
    IUPAC Name:
    sodium 2-(dodecanoyloxy)ethanesulfonate
    Constituent 4
    Chemical structure
    Reference substance name:
    sodium 2-(tetradecanoyloxy)ethanesulfonate
    Molecular formula:
    C16H31O5S.Na
    IUPAC Name:
    sodium 2-(tetradecanoyloxy)ethanesulfonate
    Constituent 5
    Chemical structure
    Reference substance name:
    sodium 2-(hexadecanoyloxy)ethanesulfonate
    Molecular formula:
    C18H35O5S.Na
    IUPAC Name:
    sodium 2-(hexadecanoyloxy)ethanesulfonate
    Constituent 6
    Chemical structure
    Reference substance name:
    sodium 2-(octadecanoyloxy)ethanesulfonate
    Molecular formula:
    C20H39O5S.Na
    IUPAC Name:
    sodium 2-(octadecanoyloxy)ethanesulfonate
    Constituent 7
    Reference substance name:
    unknown impurities
    IUPAC Name:
    unknown impurities
    Constituent 8
    Reference substance name:
    Fatty acids, coco
    EC Number:
    262-978-7
    EC Name:
    Fatty acids, coco
    CAS Number:
    61788-47-4
    Molecular formula:
    unspecified UVCB substance
    IUPAC Name:
    Cocoalkyl fatty acid
    State Form:
    solid: particulate/powder


    Constituent 1
    Chemical structure
    Reference substance name:
    sodium 2-(tetradecanoyloxy)ethane-1-sulfonate
    Molecular formula:
    C16H31NaO5S
    IUPAC Name:
    sodium 2-(tetradecanoyloxy)ethane-1-sulfonate
    Constituent 2
    Chemical structure
    Reference substance name:
    sodium 2-(octanoyloxy)ethane-1-sulfonate
    Molecular formula:
    C10H19NaO5S
    IUPAC Name:
    sodium 2-(octanoyloxy)ethane-1-sulfonate