2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid

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  • Identifiers

    CAS number
    219315-98-7

    Molecular formula
    C60H111NO9S

    SMILES
    CCCCCCCC/C=C\CCCCCCCC(=O)OCC(NCCS(=O)(=O)O)(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fatty 52.46%
    Waxy 47.89%
    Oily 39.48%
    Odorless 35.85%
    Savory 22.13%
    Milky 19.87%
    Meaty 18.92%
    Sweet 18.11%
    Fishy 17.33%
    Buttery 16.89%

     

    Flavor
    Bland 33.98%
    Faint 30.45%
    Mild 28.67%
    Waxy 25.35%
    Fatty 24.39%
    Odorless 23.72%
    Slightly waxy 21.47%
    Oily 21.4%
    Bay oil 19.88%
    Delicate 19.8%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    18.4

    pKa est.
    7.59 (neutral)

    Molecular weight
    1022.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1612°C

    Flash point

    • 307.35 ˚C est.

  • Synonyms

    • 2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid
    • 2-[tris(oleoyloxymethyl)methylamino]-1-ethanesulfonic acid
    • RefChem:909460
    • Tris-oleoyltromethamine ethane sulfonic acid
    • Prorelief LS-1
    • W10DSY0F8N
    • 219315-98-7
    • PX-13
    • 2-[[1,3-bis[[(Z)-octadec-9-enoyl]oxy]-2-[[(Z)-octadec-9-enoyl]oxymethyl]propan-2-yl]amino]ethanesulfonic acid
    • 9-Octadecenoic acid (9Z)-, 1,1'-(2-((((9Z)-1-oxo-9-octadecen-1-yl)oxy)methyl)-2-((2-sulfoethyl)amino)-1,3-propanediyl) ester
    • 9-Octadecenoic acid (9Z)-, 2-((((9Z)-1-oxo-9-octadecenyl)oxy)methyl)-2-((2-sulfoethyl)amino)-1,3-propanediyl ester
    • 9-Octadecenoic acid (Z)-, 2-(((1-oxo-9-octadecenyl)oxy)methyl)-2-((2-sulfoethyl)amino)-1,3-propanediyl ester, (Z)-
    • UNII-W10DSY0F8N
    • SCHEMBL7075866
    • Tris-oleoyltromethamine ethane sulfonic acid [INCI]
    • Q27292162
    • 2-[tris(oleoyloxymethyl) methylamino] 1-ethanesulfonic acid
    • 2-[tris(oleoyloxymethyl) methylamino]-1-ethanesulfonic acid
    • 2-[tris(oleoyloxymethyl) methylamino]-l-ethanesulfonic acid
    • 219315-98-7

  • Applications

    2-(Tris(oleoyloxymethyl)methylamino)-1-ethanesulfonic acid is a lipophilic derivative of a common amino sulfonic acid buffer; typical applications include serving as an intermediate in the synthesis of lipid-modified sulfonate amines; functioning as a surfactant or emulsifier in cosmetics/personal care and household products; used as a lipophilic buffering additive to adjust pH in lipid-based or emulsion systems; acting as a processing aid, stabilizer, or compatibilizer in polymer/plastics and coatings/inks; and serving as a solvent or solubilizer for lipophilic actives in pharmaceutical and agrochemical formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.04
    methanol 3.09
    isopropanol 1.76
    water 0.04
    ethyl acetate 6.21
    n-propanol 3.02
    acetone 8.17
    n-butanol 2.46
    acetonitrile 2.27
    DMF 29.25
    toluene 4.27
    isobutanol 2.34
    1,4-dioxane 7.85
    methyl acetate 6.96
    THF 23.28
    2-butanone 11.64
    n-pentanol 2.87
    sec-butanol 3.11
    n-hexane 0.48
    ethylene glycol 0.58
    NMP 100.51
    cyclohexane 0.75
    DMSO 19.47
    n-butyl acetate 5.2
    n-octanol 2.92
    chloroform 25.63
    n-propyl acetate 7.03
    acetic acid 10.33
    dichloromethane 20.33
    cyclohexanone 25.63
    propylene glycol 1.79
    isopropyl acetate 5.96
    DMAc 72.86
    2-ethoxyethanol 7.79
    isopentanol 2.33
    n-heptane 0.37
    ethyl formate 5.48
    1,2-dichloroethane 9.97
    n-hexanol 1.62
    2-methoxyethanol 7.72
    isobutyl acetate 4.74
    tetrachloromethane 4.33
    n-pentyl acetate 10.12
    transcutol 24.57
    n-heptanol 2.54
    ethylbenzene 3.02
    MIBK 6.24
    2-propoxyethanol 6.96
    tert-butanol 2.31
    MTBE 3.68
    2-butoxyethanol 8.57
    propionic acid 7.25
    o-xylene 4.69
    formic acid 4.26
    diethyl ether 2.75
    m-xylene 3.34
    p-xylene 3.97
    chlorobenzene 6.29
    dimethyl carbonate 7.34
    n-octane 0.3
    formamide 6.39
    cyclopentanone 35.0
    2-pentanone 9.1
    anisole 5.7
    cyclopentyl methyl ether 11.36
    gamma-butyrolactone 36.11
    1-methoxy-2-propanol 8.47
    pyridine 12.54
    3-pentanone 9.98
    furfural 28.49
    n-dodecane 0.21
    diethylene glycol 3.29
    diisopropyl ether 1.25
    tert-amyl alcohol 4.19
    acetylacetone 14.19
    n-hexadecane 0.24
    acetophenone 11.9
    methyl propionate 9.37
    isopentyl acetate 5.45
    trichloroethylene 29.34
    n-nonanol 3.13
    cyclohexanol 5.0
    benzyl alcohol 5.73
    2-ethylhexanol 1.78
    isooctanol 2.31
    dipropyl ether 3.18
    1,2-dichlorobenzene 8.39
    ethyl lactate 7.07
    propylene carbonate 19.72
    n-methylformamide 10.45
    2-pentanol 2.1
    n-pentane 0.35
    1-propoxy-2-propanol 7.27
    1-methoxy-2-propyl acetate 9.21
    2-(2-methoxypropoxy) propanol 12.27
    mesitylene 2.18
    ε-caprolactone 26.39
    p-cymene 1.99
    epichlorohydrin 23.29
    1,1,1-trichloroethane 12.38
    2-aminoethanol 1.81
    morpholine-4-carbaldehyde 37.96
    sulfolane 73.38
    2,2,4-trimethylpentane 0.44
    2-methyltetrahydrofuran 13.46
    n-hexyl acetate 9.76
    isooctane 0.17
    2-(2-butoxyethoxy)ethanol 11.49
    sec-butyl acetate 5.85
    tert-butyl acetate 8.04
    decalin 0.71
    glycerin 3.55
    diglyme 23.67
    acrylic acid 7.3
    isopropyl myristate 3.19
    n-butyric acid 9.47
    acetyl acetate 6.27
    di(2-ethylhexyl) phthalate 4.95
    ethyl propionate 7.14
    nitromethane 19.43
    1,2-diethoxyethane 7.42
    benzonitrile 5.24
    trioctyl phosphate 3.33
    1-bromopropane 4.88
    gamma-valerolactone 46.61
    n-decanol 1.98
    triethyl phosphate 5.85
    4-methyl-2-pentanol 1.55
    propionitrile 3.1
    vinylene carbonate 16.93
    1,1,2-trichlorotrifluoroethane 30.97
    DMS 8.57
    cumene 2.34
    2-octanol 2.22
    2-hexanone 9.35
    octyl acetate 4.45
    limonene 3.09
    1,2-dimethoxyethane 12.58
    ethyl orthosilicate 5.32
    tributyl phosphate 4.27
    diacetone alcohol 11.72
    N,N-dimethylaniline 7.12
    acrylonitrile 4.32
    aniline 5.55
    1,3-propanediol 2.6
    bromobenzene 6.72
    dibromomethane 11.32
    1,1,2,2-tetrachloroethane 29.13
    2-methyl-cyclohexyl acetate 7.89
    tetrabutyl urea 8.31
    diisobutyl methanol 1.36
    2-phenylethanol 3.97
    styrene 3.25
    dioctyl adipate 7.03
    dimethyl sulfate 22.96
    ethyl butyrate 6.44
    methyl lactate 9.48
    butyl lactate 10.92
    diethyl carbonate 4.11
    propanediol butyl ether 8.97
    triethyl orthoformate 7.1
    p-tert-butyltoluene 1.9
    methyl 4-tert-butylbenzoate 16.73
    morpholine 12.08
    tert-butylamine 1.34
    n-dodecanol 1.3
    dimethoxymethane 10.96
    ethylene carbonate 12.05
    cyrene 21.79
    2-ethoxyethyl acetate 12.75
    2-ethylhexyl acetate 4.77
    1,2,4-trichlorobenzene 12.98
    4-methylpyridine 12.13
    dibutyl ether 3.62
    2,6-dimethyl-4-heptanol 1.36
    DEF 17.87
    dimethyl isosorbide 21.99
    tetrachloroethylene 16.61
    eugenol 12.0
    triacetin 17.62
    span 80 10.3
    1,4-butanediol 1.78
    1,1-dichloroethane 9.19
    2-methyl-1-pentanol 3.04
    methyl formate 8.31
    2-methyl-1-butanol 3.12
    n-decane 0.45
    butyronitrile 2.88
    3,7-dimethyl-1-octanol 2.58
    1-chlorooctane 2.35
    1-chlorotetradecane 0.74
    n-nonane 0.4
    undecane 0.29
    tert-butylcyclohexane 0.51
    cyclooctane 0.37
    cyclopentanol 6.83
    tetrahydropyran 8.57
    tert-amyl methyl ether 5.4
    2,5,8-trioxanonane 15.88
    1-hexene 1.7
    2-isopropoxyethanol 6.22
    2,2,2-trifluoroethanol 6.94
    methyl butyrate 10.52

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction