1-Propanesulfonic acid, 2-hydroxy-3-((2-hydroxyethyl)(2-((1-oxo-9-octadecen-1-yl)amino)ethyl)amino)-, sodium salt (1:1)

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  • Identifiers

    CAS number
    68134-15-6

    Molecular formula
    C25H49N2NaO6S

    SMILES
    CCCCCCCCC=CCCCCCCCC(=O)NCCN(CCO)CC(CS(=O)(=O)[O-])O.[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 48.19%
    Savory 37.13%
    Meaty 31.84%
    Fishy 26.89%
    Cooling 24.24%
    Fatty 24.13%
    Oily 22.88%
    Waxy 19.96%
    Animal 19.53%
    Fresh 19.14%

     

    Flavor
    Odorless 36.69%
    Bland 36.05%
    Bitter 28.88%
    Mild 28.1%
    Faint 22.4%
    Slightly waxy 19.92%
    Cedarleaf 19.53%
    Delicate 19.43%
    Bay oil 19.31%
    Oriental 19.25%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.21 (neutral)

    Molecular weight
    528.7 g/mol

    Flash point

    • 268.97 ˚C est.

  • Synonyms

    • DTXSID10887187
    • 68134-15-6
    • 1-Propanesulfonic acid, 2-hydroxy-3-((2-hydroxyethyl)(2-((1-oxo-9-octadecen-1-yl)amino)ethyl)amino)-, sodium salt (1:1)
    • 1-Propanesulfonic acid, 2-hydroxy-3-[(2-hydroxyethyl)[2-[(1-oxo-9-octadecen-1-yl)amino]ethyl]amino]-, sodium salt (1:1)
    • RefChem:234587
    • DTXCID401026497
    • NS00091319
    • Sodium 2-hydroxy-3-{(2-hydroxyethyl)[2-(octadec-9-enamido)ethyl]amino}propane-1-sulfonate
    • 68134-15-6

  • Applications

    Chemical name: 1-Propanesulfonic acid, 2-hydroxy-3-((2-hydroxyethyl)(2-((1-oxo-9-octadecen-1-yl)amino)ethyl)amino)-, sodium salt (1:1); CAS number: 68134-15-6. This compound is a surfactant with a long hydrophobic tail and multiple hydrophilic groups, serving as an emulsifier and solubilizer in formulations across several industries. In cosmetics and personal care, it helps stabilize oil-in-water emulsions and improve dispersion of actives; in household cleaners, it acts as a surfactant and wetting agent; in coatings and inks, it functions as a dispersant and flow modifier; in polymers and plastics, it can act as a pigment dispersant or processing aid; in pharmaceuticals and pharmaceutical excipients, it may be used as a solubilizer or surfactant. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3.92
    methanol 19.78
    isopropanol 1.27
    water 1.32
    ethyl acetate 2.19
    n-propanol 3.23
    acetone 6.87
    n-butanol 2.14
    acetonitrile 1.89
    DMF 60.04
    toluene 1.81
    isobutanol 1.99
    1,4-dioxane 5.87
    methyl acetate 2.81
    THF 17.59
    2-butanone 5.21
    n-pentanol 2.5
    sec-butanol 1.64
    n-hexane 0.13
    ethylene glycol 4.15
    NMP 196.3
    cyclohexane 0.38
    DMSO 53.98
    n-butyl acetate 2.26
    n-octanol 2.27
    chloroform 5.71
    n-propyl acetate 2.94
    acetic acid 20.94
    dichloromethane 6.95
    cyclohexanone 19.69
    propylene glycol 6.38
    isopropyl acetate 1.99
    DMAc 109.54
    2-ethoxyethanol 13.34
    isopentanol 1.86
    n-heptane 0.19
    ethyl formate 3.65
    1,2-dichloroethane 4.62
    n-hexanol 1.45
    2-methoxyethanol 20.67
    isobutyl acetate 2.38
    tetrachloromethane 1.25
    n-pentyl acetate 5.25
    transcutol 49.45
    n-heptanol 2.4
    ethylbenzene 1.17
    MIBK 3.32
    2-propoxyethanol 10.76
    tert-butanol 1.65
    MTBE 0.91
    2-butoxyethanol 12.99
    propionic acid 7.78
    o-xylene 2.16
    formic acid 31.03
    diethyl ether 0.83
    m-xylene 1.61
    p-xylene 1.57
    chlorobenzene 2.02
    dimethyl carbonate 5.47
    n-octane 0.12
    formamide 35.39
    cyclopentanone 29.96
    2-pentanone 4.16
    anisole 3.08
    cyclopentyl methyl ether 6.87
    gamma-butyrolactone 31.26
    1-methoxy-2-propanol 13.6
    pyridine 8.5
    3-pentanone 4.42
    furfural 33.5
    n-dodecane 0.1
    diethylene glycol 11.32
    diisopropyl ether 0.38
    tert-amyl alcohol 2.21
    acetylacetone 9.61
    n-hexadecane 0.12
    acetophenone 8.56
    methyl propionate 4.76
    isopentyl acetate 2.58
    trichloroethylene 11.48
    n-nonanol 2.37
    cyclohexanol 3.9
    benzyl alcohol 6.07
    2-ethylhexanol 1.28
    isooctanol 2.13
    dipropyl ether 1.49
    1,2-dichlorobenzene 3.1
    ethyl lactate 6.57
    propylene carbonate 13.29
    n-methylformamide 21.17
    2-pentanol 1.02
    n-pentane 0.12
    1-propoxy-2-propanol 7.82
    1-methoxy-2-propyl acetate 6.41
    2-(2-methoxypropoxy) propanol 15.42
    mesitylene 1.1
    ε-caprolactone 18.65
    p-cymene 1.07
    epichlorohydrin 16.86
    1,1,1-trichloroethane 2.88
    2-aminoethanol 8.83
    morpholine-4-carbaldehyde 63.56
    sulfolane 101.98
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 6.27
    n-hexyl acetate 5.4
    isooctane 0.06
    2-(2-butoxyethoxy)ethanol 19.56
    sec-butyl acetate 2.06
    tert-butyl acetate 3.26
    decalin 0.28
    glycerin 18.96
    diglyme 31.94
    acrylic acid 11.49
    isopropyl myristate 1.81
    n-butyric acid 7.36
    acetyl acetate 2.98
    di(2-ethylhexyl) phthalate 4.85
    ethyl propionate 2.64
    nitromethane 27.42
    1,2-diethoxyethane 4.88
    benzonitrile 4.24
    trioctyl phosphate 2.9
    1-bromopropane 1.3
    gamma-valerolactone 55.44
    n-decanol 1.54
    triethyl phosphate 3.59
    4-methyl-2-pentanol 0.92
    propionitrile 1.8
    vinylene carbonate 12.46
    1,1,2-trichlorotrifluoroethane 39.0
    DMS 5.91
    cumene 1.07
    2-octanol 1.41
    2-hexanone 4.11
    octyl acetate 2.98
    limonene 1.61
    1,2-dimethoxyethane 13.04
    ethyl orthosilicate 3.23
    tributyl phosphate 3.36
    diacetone alcohol 10.44
    N,N-dimethylaniline 4.98
    acrylonitrile 3.75
    aniline 3.81
    1,3-propanediol 7.09
    bromobenzene 1.76
    dibromomethane 3.18
    1,1,2,2-tetrachloroethane 11.36
    2-methyl-cyclohexyl acetate 5.36
    tetrabutyl urea 7.4
    diisobutyl methanol 0.81
    2-phenylethanol 3.82
    styrene 1.22
    dioctyl adipate 5.31
    dimethyl sulfate 21.29
    ethyl butyrate 2.73
    methyl lactate 11.69
    butyl lactate 10.78
    diethyl carbonate 2.08
    propanediol butyl ether 16.39
    triethyl orthoformate 3.7
    p-tert-butyltoluene 1.01
    methyl 4-tert-butylbenzoate 14.45
    morpholine 11.26
    tert-butylamine 0.67
    n-dodecanol 1.05
    dimethoxymethane 14.46
    ethylene carbonate 8.75
    cyrene 33.92
    2-ethoxyethyl acetate 8.8
    2-ethylhexyl acetate 2.24
    1,2,4-trichlorobenzene 4.63
    4-methylpyridine 6.44
    dibutyl ether 1.58
    2,6-dimethyl-4-heptanol 0.81
    DEF 13.03
    dimethyl isosorbide 29.27
    tetrachloroethylene 8.04
    eugenol 15.41
    triacetin 14.05
    span 80 13.25
    1,4-butanediol 4.27
    1,1-dichloroethane 2.12
    2-methyl-1-pentanol 2.39
    methyl formate 12.34
    2-methyl-1-butanol 2.31
    n-decane 0.2
    butyronitrile 1.59
    3,7-dimethyl-1-octanol 1.76
    1-chlorooctane 0.96
    1-chlorotetradecane 0.38
    n-nonane 0.17
    undecane 0.14
    tert-butylcyclohexane 0.18
    cyclooctane 0.18
    cyclopentanol 6.01
    tetrahydropyran 4.04
    tert-amyl methyl ether 1.59
    2,5,8-trioxanonane 26.11
    1-hexene 0.48
    2-isopropoxyethanol 7.57
    2,2,2-trifluoroethanol 12.76
    methyl butyrate 4.52

    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