Sodium stigmast-5-en-3beta-yl sulfate

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  • Identifiers

    CAS number
    107013-12-7

    Molecular formula
    C29H49NaO4S

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 55.28%
    Odorless 36.69%
    Balsamic 30.46%
    Amber 29.69%
    Herbal 27.36%
    Dry 26.91%
    Sandalwood 26.47%
    Fatty 25.63%
    Vetiver 25.28%
    Fresh 24.9%

     

    Flavor
    Woody 32.17%
    Herbal 25.67%
    Bitter 24.63%
    Wood 22.84%
    Herb 20.78%
    Spice 20.73%
    Cedarleaf 20.6%
    Sandalwood 19.87%
    Low 19.67%
    Diterpene 19.66%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    6.52 (neutral)

    Molecular weight
    516.8 g/mol

    Flash point

    • 231.68 ˚C est.

  • Synonyms

    • Phytocohesine
    • Phytocohesine PSS
    • Sodiumbetasitosteryl sulfate
    • UNII-I289C8TPSV
    • I289C8TPSV
    • Sodium stigmast-5-en-3beta-yl sulfate
    • Sodiumbetasitosteryl sulfate [INCI]
    • sodium beta-sitosteryl sulfate
    • 107013-12-7
    • Stigmast-5-en-3-ol, hydrogen sulfate, sodium salt, (3beta)-
    • Stigmast-5-en-3-ol, 3-(hydrogen sulfate), sodium salt (1:1), (3beta)-
    • SCHEMBL873024
    • DTXSID70147875
    • SODIUM STIGMAST-5-EN-3.BETA.-YL SULFATE
    • Q27280281
    • STIGMAST-5-EN-3-OL, HYDROGEN SULFATE, SODIUM SALT, (3.BETA.)-
    • STIGMAST-5-EN-3-OL, 3-(HYDROGEN SULFATE), SODIUM SALT (1:1), (3.BETA.)-
    • 107013-12-7

  • Applications

    Sodium stigmast-5-en-3beta-yl sulfate (CAS 107013-12-7) is commonly used as a sterol-based surfactant/emulsifier in cosmetic and personal-care formulations to stabilize emulsions and aid dispersion of actives; it is also evaluated as a surfactant additive in household cleaning products; in industrial manufacturing, it can act as a dispersing or stabilizing agent in polymer processing and in coatings, inks, and related formulations; as a sterol-derived intermediate, it can serve as a precursor for synthesizing sterol-derived surfactants used in a range of industrial applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.61
    methanol 2.7
    isopropanol 4.01
    water 0.0
    ethyl acetate 10.45
    n-propanol 8.12
    acetone 8.63
    n-butanol 8.26
    acetonitrile 2.35
    DMF 20.34
    toluene 10.65
    isobutanol 4.84
    1,4-dioxane 19.24
    methyl acetate 7.12
    THF 40.68
    2-butanone 15.5
    n-pentanol 6.39
    sec-butanol 5.07
    n-hexane 0.25
    ethylene glycol 0.39
    NMP 43.48
    cyclohexane 0.7
    DMSO 6.26
    n-butyl acetate 12.61
    n-octanol 3.31
    chloroform 35.36
    n-propyl acetate 8.73
    acetic acid 4.88
    dichloromethane 21.65
    cyclohexanone 26.82
    propylene glycol 1.42
    isopropyl acetate 10.36
    DMAc 39.66
    2-ethoxyethanol 12.92
    isopentanol 6.45
    n-heptane 0.3
    ethyl formate 4.38
    1,2-dichloroethane 11.03
    n-hexanol 8.23
    2-methoxyethanol 15.4
    isobutyl acetate 6.78
    tetrachloromethane 3.75
    n-pentyl acetate 14.0
    transcutol 44.59
    n-heptanol 5.63
    ethylbenzene 4.35
    MIBK 10.49
    2-propoxyethanol 29.67
    tert-butanol 3.24
    MTBE 5.65
    2-butoxyethanol 19.57
    propionic acid 4.96
    o-xylene 5.61
    formic acid 1.64
    diethyl ether 8.23
    m-xylene 6.49
    p-xylene 4.75
    chlorobenzene 12.07
    dimethyl carbonate 5.45
    n-octane 0.11
    formamide 3.0
    cyclopentanone 31.68
    2-pentanone 14.53
    anisole 13.17
    cyclopentyl methyl ether 16.02
    gamma-butyrolactone 23.25
    1-methoxy-2-propanol 18.49
    pyridine 24.13
    3-pentanone 12.05
    furfural 21.69
    n-dodecane 0.08
    diethylene glycol 9.14
    diisopropyl ether 2.36
    tert-amyl alcohol 4.2
    acetylacetone 16.11
    n-hexadecane 0.1
    acetophenone 14.47
    methyl propionate 10.85
    isopentyl acetate 13.84
    trichloroethylene 31.4
    n-nonanol 4.17
    cyclohexanol 7.28
    benzyl alcohol 10.64
    2-ethylhexanol 4.77
    isooctanol 4.59
    dipropyl ether 5.83
    1,2-dichlorobenzene 12.09
    ethyl lactate 6.13
    propylene carbonate 12.5
    n-methylformamide 6.47
    2-pentanol 4.48
    n-pentane 0.35
    1-propoxy-2-propanol 21.87
    1-methoxy-2-propyl acetate 23.99
    2-(2-methoxypropoxy) propanol 17.97
    mesitylene 3.13
    ε-caprolactone 27.03
    p-cymene 3.22
    epichlorohydrin 30.45
    1,1,1-trichloroethane 10.29
    2-aminoethanol 2.2
    morpholine-4-carbaldehyde 40.76
    sulfolane 25.23
    2,2,4-trimethylpentane 0.26
    2-methyltetrahydrofuran 20.0
    n-hexyl acetate 13.51
    isooctane 0.2
    2-(2-butoxyethoxy)ethanol 23.01
    sec-butyl acetate 7.64
    tert-butyl acetate 11.7
    decalin 0.46
    glycerin 2.77
    diglyme 38.16
    acrylic acid 3.88
    isopropyl myristate 4.06
    n-butyric acid 11.29
    acetyl acetate 7.88
    di(2-ethylhexyl) phthalate 7.57
    ethyl propionate 8.01
    nitromethane 8.92
    1,2-diethoxyethane 13.01
    benzonitrile 8.39
    trioctyl phosphate 4.29
    1-bromopropane 7.14
    gamma-valerolactone 54.59
    n-decanol 2.42
    triethyl phosphate 5.71
    4-methyl-2-pentanol 3.29
    propionitrile 4.41
    vinylene carbonate 12.05
    1,1,2-trichlorotrifluoroethane 21.54
    DMS 9.84
    cumene 2.8
    2-octanol 2.89
    2-hexanone 11.26
    octyl acetate 6.05
    limonene 4.29
    1,2-dimethoxyethane 19.38
    ethyl orthosilicate 6.33
    tributyl phosphate 4.45
    diacetone alcohol 13.6
    N,N-dimethylaniline 8.76
    acrylonitrile 4.86
    aniline 11.32
    1,3-propanediol 5.65
    bromobenzene 12.6
    dibromomethane 13.31
    1,1,2,2-tetrachloroethane 24.75
    2-methyl-cyclohexyl acetate 12.24
    tetrabutyl urea 7.33
    diisobutyl methanol 2.56
    2-phenylethanol 15.47
    styrene 5.27
    dioctyl adipate 8.36
    dimethyl sulfate 9.24
    ethyl butyrate 9.61
    methyl lactate 7.42
    butyl lactate 12.74
    diethyl carbonate 5.69
    propanediol butyl ether 12.03
    triethyl orthoformate 9.55
    p-tert-butyltoluene 2.99
    methyl 4-tert-butylbenzoate 18.86
    morpholine 30.38
    tert-butylamine 1.82
    n-dodecanol 1.36
    dimethoxymethane 18.55
    ethylene carbonate 9.75
    cyrene 19.9
    2-ethoxyethyl acetate 21.86
    2-ethylhexyl acetate 11.68
    1,2,4-trichlorobenzene 16.96
    4-methylpyridine 23.07
    dibutyl ether 3.05
    2,6-dimethyl-4-heptanol 2.56
    DEF 18.69
    dimethyl isosorbide 31.06
    tetrachloroethylene 15.22
    eugenol 18.84
    triacetin 16.22
    span 80 15.22
    1,4-butanediol 2.04
    1,1-dichloroethane 10.19
    2-methyl-1-pentanol 5.57
    methyl formate 3.67
    2-methyl-1-butanol 6.46
    n-decane 0.19
    butyronitrile 5.65
    3,7-dimethyl-1-octanol 3.52
    1-chlorooctane 1.52
    1-chlorotetradecane 0.42
    n-nonane 0.15
    undecane 0.11
    tert-butylcyclohexane 0.33
    cyclooctane 0.25
    cyclopentanol 7.56
    tetrahydropyran 20.5
    tert-amyl methyl ether 5.66
    2,5,8-trioxanonane 23.31
    1-hexene 1.59
    2-isopropoxyethanol 10.43
    2,2,2-trifluoroethanol 2.68
    methyl butyrate 9.85

    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