1-Propanesulfonic acid, 2-hydroxy-3-(octyloxy)-, sodium salt (1:1)

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  • Identifiers

    CAS number
    51946-14-6

    Molecular formula
    C11H23NaO5S

    SMILES
    CCCCCCCCOCC(CS(=O)(=O)[O-])O.[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 51.34%
    Fatty 26.45%
    Savory 26.28%
    Fresh 25.16%
    Citrus 23.53%
    Meaty 21.03%
    Oily 19.51%
    Milky 18.07%
    Cooling 17.66%
    Roasted 15.8%

     

    Flavor
    Bitter 36.53%
    Bland 27.6%
    Odorless 26.9%
    Mild 24.58%
    Green 20.33%
    Bay oil 19.25%
    Cedarleaf 19.18%
    Sweet-like 19.16%
    Gooseberry 18.95%
    Heather 18.93%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.01 (weak acid)

    Molecular weight
    290.35 g/mol

    Flash point

    • 170.82 ˚C est.

  • Synonyms

    • Sodium caprylyl PG-sulfonate
    • 1-Propanesulfonic acid, 2-hydroxy-3-(octyloxy)-, monosodium salt
    • UNII-AP6892L90I
    • AP6892L90I
    • 1-Propanesulfonic acid, 2-hydroxy-3-(octyloxy)-, sodium salt (1:1)
    • AGS-898
    • DTXSID20885977
    • SODIUM 2-HYDROXY-3-OCTYLOXYPROPYLSULFONATE
    • SODIUM 2-HYDROXY-3-OCTYLOXY-1-PROPANESULFONATE
    • 1-PROPANESULFONIC ACID, 2-HYDROXY-3-(OCTYLOXY)-, SODIUM SALT
    • RefChem:77123
    • DTXCID701025329
    • SODIUM CAPRYLYL PG-SULFONATE [INCI]
    • 51946-14-6
    • sodium 2-hydroxy-3-(octyloxy)propane-1-sulfonate
    • 2-Hydroxy-3-(octyloxy)-1-propanesulfonic acid sodium salt
    • SCHEMBL4428413
    • UXJCQISMJSCAOK-UHFFFAOYSA-M
    • DB-314088
    • NS00120655
    • Q27274046
    • 51946-14-6

  • Applications

    1-Propanesulfonic acid, 2-hydroxy-3-(octyloxy)-, sodium salt (1:1) (CAS 51946-14-6) is commonly used as a surfactant and emulsifier in household and industrial cleaners, cosmetics and personal care products, providing improved wetting, dispersion and foam properties. It also serves as a processing aid, surface-active additive and stabilizer in coatings, paints and polymer formulations, helping emulsify and stabilize mixtures and improve compatibility with other ingredients; and it may act as an intermediate in the synthesis of other sulfonated compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 68.18
    methanol 139.56
    isopropanol 31.68
    water 0.54
    ethyl acetate 31.69
    n-propanol 41.7
    acetone 109.4
    n-butanol 33.25
    acetonitrile 32.75
    DMF 368.57
    toluene 16.18
    isobutanol 27.74
    1,4-dioxane 62.21
    methyl acetate 33.28
    THF 199.31
    2-butanone 56.74
    n-pentanol 27.73
    sec-butanol 25.6
    n-hexane 0.97
    ethylene glycol 31.94
    NMP 414.88
    cyclohexane 4.64
    DMSO 771.18
    n-butyl acetate 37.49
    n-octanol 18.32
    chloroform 66.59
    n-propyl acetate 38.24
    acetic acid 124.26
    dichloromethane 80.95
    cyclohexanone 182.88
    propylene glycol 54.71
    isopropyl acetate 32.87
    DMAc 301.75
    2-ethoxyethanol 102.05
    isopentanol 32.18
    n-heptane 1.45
    ethyl formate 38.72
    1,2-dichloroethane 75.23
    n-hexanol 26.94
    2-methoxyethanol 185.67
    isobutyl acetate 25.81
    tetrachloromethane 7.93
    n-pentyl acetate 32.88
    transcutol 369.93
    n-heptanol 16.87
    ethylbenzene 13.02
    MIBK 50.59
    2-propoxyethanol 84.61
    tert-butanol 50.25
    MTBE 18.78
    2-butoxyethanol 50.93
    propionic acid 53.74
    o-xylene 22.93
    formic acid 82.99
    diethyl ether 14.41
    m-xylene 22.09
    p-xylene 16.4
    chlorobenzene 28.83
    dimethyl carbonate 28.84
    n-octane 0.88
    formamide 141.89
    cyclopentanone 242.4
    2-pentanone 60.64
    anisole 41.46
    cyclopentyl methyl ether 78.45
    gamma-butyrolactone 220.36
    1-methoxy-2-propanol 136.72
    pyridine 70.63
    3-pentanone 41.2
    furfural 215.69
    n-dodecane 0.95
    diethylene glycol 99.39
    diisopropyl ether 7.47
    tert-amyl alcohol 41.19
    acetylacetone 132.49
    n-hexadecane 1.11
    acetophenone 76.24
    methyl propionate 40.85
    isopentyl acetate 41.18
    trichloroethylene 151.6
    n-nonanol 17.43
    cyclohexanol 52.78
    benzyl alcohol 52.02
    2-ethylhexanol 19.25
    isooctanol 15.35
    dipropyl ether 15.18
    1,2-dichlorobenzene 39.37
    ethyl lactate 43.28
    propylene carbonate 105.06
    n-methylformamide 115.9
    2-pentanol 19.49
    n-pentane 1.07
    1-propoxy-2-propanol 62.27
    1-methoxy-2-propyl acetate 67.1
    2-(2-methoxypropoxy) propanol 91.49
    mesitylene 16.58
    ε-caprolactone 135.15
    p-cymene 13.28
    epichlorohydrin 172.88
    1,1,1-trichloroethane 46.1
    2-aminoethanol 71.56
    morpholine-4-carbaldehyde 279.52
    sulfolane 516.54
    2,2,4-trimethylpentane 1.42
    2-methyltetrahydrofuran 85.5
    n-hexyl acetate 45.93
    isooctane 1.11
    2-(2-butoxyethoxy)ethanol 107.65
    sec-butyl acetate 26.69
    tert-butyl acetate 57.24
    decalin 3.11
    glycerin 110.76
    diglyme 185.84
    acrylic acid 63.19
    isopropyl myristate 18.63
    n-butyric acid 73.01
    acetyl acetate 39.24
    di(2-ethylhexyl) phthalate 30.03
    ethyl propionate 31.1
    nitromethane 198.74
    1,2-diethoxyethane 47.42
    benzonitrile 54.58
    trioctyl phosphate 19.79
    1-bromopropane 20.21
    gamma-valerolactone 309.27
    n-decanol 12.53
    triethyl phosphate 28.4
    4-methyl-2-pentanol 16.01
    propionitrile 25.54
    vinylene carbonate 89.64
    1,1,2-trichlorotrifluoroethane 200.5
    DMS 46.26
    cumene 11.76
    2-octanol 11.2
    2-hexanone 43.45
    octyl acetate 23.85
    limonene 20.63
    1,2-dimethoxyethane 133.99
    ethyl orthosilicate 25.38
    tributyl phosphate 26.23
    diacetone alcohol 115.58
    N,N-dimethylaniline 42.46
    acrylonitrile 46.96
    aniline 36.39
    1,3-propanediol 73.24
    bromobenzene 26.65
    dibromomethane 45.69
    1,1,2,2-tetrachloroethane 130.37
    2-methyl-cyclohexyl acetate 50.39
    tetrabutyl urea 43.83
    diisobutyl methanol 13.14
    2-phenylethanol 48.46
    styrene 15.34
    dioctyl adipate 44.03
    dimethyl sulfate 97.45
    ethyl butyrate 33.31
    methyl lactate 62.08
    butyl lactate 50.02
    diethyl carbonate 25.3
    propanediol butyl ether 80.7
    triethyl orthoformate 29.57
    p-tert-butyltoluene 12.57
    methyl 4-tert-butylbenzoate 72.03
    morpholine 110.8
    tert-butylamine 20.54
    n-dodecanol 9.16
    dimethoxymethane 102.35
    ethylene carbonate 67.02
    cyrene 131.4
    2-ethoxyethyl acetate 55.18
    2-ethylhexyl acetate 31.44
    1,2,4-trichlorobenzene 56.85
    4-methylpyridine 67.26
    dibutyl ether 15.48
    2,6-dimethyl-4-heptanol 13.14
    DEF 99.94
    dimethyl isosorbide 172.7
    tetrachloroethylene 70.86
    eugenol 76.02
    triacetin 86.25
    span 80 77.79
    1,4-butanediol 33.17
    1,1-dichloroethane 38.1
    2-methyl-1-pentanol 28.06
    methyl formate 71.18
    2-methyl-1-butanol 29.14
    n-decane 1.57
    butyronitrile 27.37
    3,7-dimethyl-1-octanol 22.22
    1-chlorooctane 9.08
    1-chlorotetradecane 3.74
    n-nonane 1.35
    undecane 1.16
    tert-butylcyclohexane 2.18
    cyclooctane 1.84
    cyclopentanol 68.02
    tetrahydropyran 55.04
    tert-amyl methyl ether 22.17
    2,5,8-trioxanonane 159.8
    1-hexene 5.1
    2-isopropoxyethanol 63.95
    2,2,2-trifluoroethanol 53.79
    methyl butyrate 51.51

    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