Sodium scymnol sulfate

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  • Identifiers

    CAS number
    119068-78-9

    Molecular formula
    C27H47NaO9S

    SMILES
    C[C@H](CC[C@H]([C@@H](CO)COS(=O)(=O)[O-])O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[Na+]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 68.24%
    Cooling 41.84%
    Mint 33.6%
    Woody 24.8%
    Balsamic 21.71%
    Fresh 18.84%
    Savory 18.31%
    Sandalwood 18.24%
    Sweet 17.9%
    Clean 17.33%

     

    Flavor
    Bitter 66.74%
    Odorless 31.42%
    Bland 25.77%
    Sweet-like 23.24%
    Cedarleaf 22.37%
    Sandalwood 19.73%
    Nitrile 19.62%
    Mentholic 19.61%
    Green tea 19.6%
    Heather 19.35%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    5.02 (weak acid)

    Molecular weight
    570.7 g/mol

    Flash point

    • 277.47 ˚C est.

  • Synonyms

    • Sodium scymnol sulfate
    • Scymnol sulfate ester
    • 119068-78-9
    • FS43TYT77C
    • ROVISOME CLEAR SKIN
    • scymnolsulphate
    • RefChem:182047
    • 3 alpha,7 alpha,12 alpha,24,26-pentahydroxy-5 beta cholestan-27-yl sulfate
    • sodium;[(2S,3R,6R)-3-hydroxy-2-(hydroxymethyl)-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptyl] sulfate
    • UNII-FS43TYT77C
    • Scymnol sulfate sodium salt
    • SCHEMBL9696800
    • BYPAPZOIGAURCH-XFEBKPBNSA-M
    • SCYMNOL 26-SULFATE SODIUM SALT
    • (24R,25S)-SODIUM SCYMNOL SULFATE
    • (24R)-SCYMNOL 26-SULFATE SODIUM SALT
    • (24R,25S)-SCYMNOL SULFATE SODIUM SALT
    • Q27278157
    • CHOLESTANE-3,7,12,24,26,27-HEXOL, 26-(HYDROGEN SULFATE), MONOSODIUM
    • Cholestane-3,7,12,24,26,27-hexol, 26-(hydrogen sulfate), monosodium salt, (3-alpha,5-beta,7-alpha,12-alpha,24S)-
    • CHOLESTANE-3,7,12,24,26,27-HEXOL, 26-(HYDROGEN SULFATE), SODIUM SALT (1:1), (3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.,24R,25S)-
    • 119068-78-9

  • Applications

    Sodium scymnol sulfate (CAS 119068-78-9) is primarily used as an anionic surfactant and emulsifier in a range of formulations. In cosmetics and personal care it functions as a cleansing surfactant and emulsifier in products such as cleansers and shampoos; in household and industrial cleaners it aids wetting, dispersion and stain removal; in coatings and inks it helps stabilize pigment dispersions and improve leveling; in polymers and plastics processing it can act as a processing aid or surfactant to improve dispersion and rheology; usage is formulation-dependent and subject to local regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.88
    methanol 9.34
    isopropanol 0.12
    water 0.11
    ethyl acetate 0.25
    n-propanol 0.3
    acetone 1.06
    n-butanol 0.15
    acetonitrile 0.22
    DMF 12.78
    toluene 0.06
    isobutanol 0.08
    1,4-dioxane 2.43
    methyl acetate 0.32
    THF 5.24
    2-butanone 0.49
    n-pentanol 0.1
    sec-butanol 0.07
    n-hexane 0.0
    ethylene glycol 1.58
    NMP 13.71
    cyclohexane 0.01
    DMSO 11.22
    n-butyl acetate 0.19
    n-octanol 0.17
    chloroform 0.32
    n-propyl acetate 0.18
    acetic acid 4.65
    dichloromethane 0.35
    cyclohexanone 1.01
    propylene glycol 1.23
    isopropyl acetate 0.18
    DMAc 9.5
    2-ethoxyethanol 2.82
    isopentanol 0.08
    n-heptane 0.01
    ethyl formate 0.45
    1,2-dichloroethane 0.18
    n-hexanol 0.13
    2-methoxyethanol 8.8
    isobutyl acetate 0.1
    tetrachloromethane 0.05
    n-pentyl acetate 0.39
    transcutol 6.48
    n-heptanol 0.22
    ethylbenzene 0.03
    MIBK 0.22
    2-propoxyethanol 4.14
    tert-butanol 0.07
    MTBE 0.06
    2-butoxyethanol 2.54
    propionic acid 0.55
    o-xylene 0.05
    formic acid 11.97
    diethyl ether 0.14
    m-xylene 0.05
    p-xylene 0.04
    chlorobenzene 0.08
    dimethyl carbonate 0.91
    n-octane 0.0
    formamide 10.08
    cyclopentanone 2.95
    2-pentanone 0.35
    anisole 0.23
    cyclopentyl methyl ether 0.42
    gamma-butyrolactone 3.81
    1-methoxy-2-propanol 3.33
    pyridine 1.02
    3-pentanone 0.29
    furfural 4.73
    n-dodecane 0.0
    diethylene glycol 6.68
    diisopropyl ether 0.03
    tert-amyl alcohol 0.06
    acetylacetone 1.61
    n-hexadecane 0.0
    acetophenone 0.45
    methyl propionate 0.47
    isopentyl acetate 0.17
    trichloroethylene 0.59
    n-nonanol 0.17
    cyclohexanol 0.1
    benzyl alcohol 0.33
    2-ethylhexanol 0.06
    isooctanol 0.13
    dipropyl ether 0.15
    1,2-dichlorobenzene 0.1
    ethyl lactate 0.54
    propylene carbonate 1.02
    n-methylformamide 5.0
    2-pentanol 0.05
    n-pentane 0.0
    1-propoxy-2-propanol 1.49
    1-methoxy-2-propyl acetate 1.11
    2-(2-methoxypropoxy) propanol 1.72
    mesitylene 0.03
    ε-caprolactone 1.0
    p-cymene 0.04
    epichlorohydrin 2.51
    1,1,1-trichloroethane 0.07
    2-aminoethanol 1.95
    morpholine-4-carbaldehyde 14.4
    sulfolane 9.96
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.5
    n-hexyl acetate 0.43
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 2.88
    sec-butyl acetate 0.09
    tert-butyl acetate 0.25
    decalin 0.0
    glycerin 6.67
    diglyme 6.19
    acrylic acid 1.3
    isopropyl myristate 0.09
    n-butyric acid 0.47
    acetyl acetate 0.4
    di(2-ethylhexyl) phthalate 0.31
    ethyl propionate 0.18
    nitromethane 6.91
    1,2-diethoxyethane 0.6
    benzonitrile 0.2
    trioctyl phosphate 0.18
    1-bromopropane 0.04
    gamma-valerolactone 12.12
    n-decanol 0.09
    triethyl phosphate 0.16
    4-methyl-2-pentanol 0.04
    propionitrile 0.12
    vinylene carbonate 1.29
    1,1,2-trichlorotrifluoroethane 6.39
    DMS 0.57
    cumene 0.02
    2-octanol 0.08
    2-hexanone 0.24
    octyl acetate 0.19
    limonene 0.04
    1,2-dimethoxyethane 3.1
    ethyl orthosilicate 0.15
    tributyl phosphate 0.15
    diacetone alcohol 0.95
    N,N-dimethylaniline 0.19
    acrylonitrile 0.34
    aniline 0.16
    1,3-propanediol 1.54
    bromobenzene 0.06
    dibromomethane 0.12
    1,1,2,2-tetrachloroethane 0.41
    2-methyl-cyclohexyl acetate 0.23
    tetrabutyl urea 0.33
    diisobutyl methanol 0.04
    2-phenylethanol 0.45
    styrene 0.04
    dioctyl adipate 0.26
    dimethyl sulfate 2.59
    ethyl butyrate 0.19
    methyl lactate 1.75
    butyl lactate 0.89
    diethyl carbonate 0.12
    propanediol butyl ether 2.93
    triethyl orthoformate 0.24
    p-tert-butyltoluene 0.04
    methyl 4-tert-butylbenzoate 1.25
    morpholine 2.78
    tert-butylamine 0.02
    n-dodecanol 0.05
    dimethoxymethane 5.54
    ethylene carbonate 0.72
    cyrene 4.21
    2-ethoxyethyl acetate 1.41
    2-ethylhexyl acetate 0.12
    1,2,4-trichlorobenzene 0.15
    4-methylpyridine 0.36
    dibutyl ether 0.08
    2,6-dimethyl-4-heptanol 0.04
    DEF 0.85
    dimethyl isosorbide 3.76
    tetrachloroethylene 0.44
    eugenol 1.65
    triacetin 1.29
    span 80 1.59
    1,4-butanediol 0.49
    1,1-dichloroethane 0.06
    2-methyl-1-pentanol 0.06
    methyl formate 4.04
    2-methyl-1-butanol 0.07
    n-decane 0.01
    butyronitrile 0.09
    3,7-dimethyl-1-octanol 0.08
    1-chlorooctane 0.03
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.22
    tetrahydropyran 0.43
    tert-amyl methyl ether 0.06
    2,5,8-trioxanonane 3.5
    1-hexene 0.01
    2-isopropoxyethanol 0.87
    2,2,2-trifluoroethanol 1.89
    methyl butyrate 0.26

    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