Sodium Cholate

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  • Identifiers

    CAS number
    361-09-1

    Molecular formula
    C24H39NaO5

    SMILES
    C[C@H](CCC(=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

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 48.62%
    Mint 42.91%
    Odorless 42.4%
    Cooling 40.96%
    Balsamic 39.56%
    Sweet 34.26%
    Herbal 29.69%
    Spicy 29.31%
    Camphoreous 27.97%
    Sandalwood 27.46%

     

    Flavor
    Bitter 37.69%
    Herbal 30.36%
    Minty 28.94%
    Odorless 28.85%
    Cedarleaf 23.26%
    Sweet-like 22.65%
    Herb 22.5%
    Mentholic 22.02%
    Fruity 21.97%
    Fatty 21.49%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    3.94 (weak acid)

    Molecular weight
    430.6 g/mol

    Flash point

    • 264.59 ˚C est.

  • Synonyms

    • SODIUM CHOLATE
    • 361-09-1
    • Cholic acid, sodium salt
    • Cholic acid, monosodium salt
    • cholate sodium
    • NU3Y4CCH8Z
    • DTXSID9033979
    • Cholan-24-oic acid, 3,7,12-trihydroxy-, monosodium salt, (3alpha,5beta,7alpha,12alpha)-
    • DTXCID7013979
    • CHEBI:26711
    • Cholate, Sodium
    • Choleate, Sodium
    • Cholan-24-oic acid, 3,7,12-trihydroxy-, sodium salt (1:1), (3alpha,5beta,7alpha,12alpha)-
    • RefChem:183841
    • Cholan-24-oic acid, 3,7,12-trihydroxy-, monosodium salt,(3alpha,5beta,7alpha,12alpha)-
    • 206-643-5
    • Cholalic acid sodium salt
    • cholic acid sodium
    • Cholic acid (sodium)
    • sodium;(4R)-4-[(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]pentanoate
    • MFCD00064138
    • 206986-87-0
    • Sodium cholic acid
    • sodium 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate
    • SMR000718782
    • sodium (R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
    • DS-Na
    • C24H39NaO5
    • UNII-NU3Y4CCH8Z
    • CCRIS 643
    • Cholan-24-oic acid, 3,7,12-trihydroxy-, monosodium salt, (3.alpha.,5.beta.,7.alpha.,12.alpha.)-
    • Cholic Acid Sodium Salt; DS-Na; Sodium Cholate; Sodium Cholic Acid; Cholic Acid, Monosodium Salt; (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-cholan-24-oic Acid Monosodium Salt
    • EINECS 206-643-5
    • Trihydroxy 3-7-12 cholanate de Na
    • 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt
    • Trihydroxy 3-7-12 cholanate de Na [French]
    • SCHEMBL27389
    • MLS001304068
    • MLS002207184
    • orb1302776
    • CHEMBL1421383
    • CHOLATE SODIUM [WHO-DD]
    • HY-N0324A
    • NRHMKIHPTBHXPF-TUJRSCDTSA-M
    • HMS2233N18
    • BB_NC-00634
    • Tox21_202535
    • AKOS015955641
    • CCG-269014
    • FC14775
    • NCGC00090761-01
    • NCGC00260084-01
    • CAS-361-09-1
    • Cholan-24-oic acid, 3,7,12-trihydroxy-, monosodium salt, (3-alpha,5-beta,7-alpha,12-alpha)-
    • CS-0016849
    • NS00079402
    • Q25474199
    • sodium (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oate
    • SODIUM, (R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-TRIHYDROXY-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-17-YL)-PENTANOATE
    • 361-09-1

  • Applications

    Sodium Cholate (CAS 361-09-1) is the sodium salt of cholic acid and is used as a mild surfactant, emulsifier, and detergent in a range of industrial and life-science applications. In pharmaceutical formulation and development, it commonly serves as a solubilizer and solvent to enhance the dissolution of poorly soluble compounds, and may aid oral absorption in specialized formulations. In membrane-protein research and purification, sodium cholate acts as a detergent to solubilize lipids and to stabilize membrane proteins and protein complexes. In analytical and manufacturing contexts, it is used in buffers and separation systems to improve the solubility of lipids and other poorly soluble constituents. It may also be used as a mild surfactant in specialty cosmetic formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.64
    methanol 114.66
    isopropanol 12.94
    water 0.72
    ethyl acetate 12.51
    n-propanol 16.4
    acetone 50.23
    n-butanol 9.15
    acetonitrile 9.29
    DMF 87.72
    toluene 5.44
    isobutanol 6.46
    1,4-dioxane 71.28
    methyl acetate 9.38
    THF 289.94
    2-butanone 13.0
    n-pentanol 6.31
    sec-butanol 2.63
    n-hexane 0.2
    ethylene glycol 17.28
    NMP 35.27
    cyclohexane 0.44
    DMSO 230.69
    n-butyl acetate 10.2
    n-octanol 5.04
    chloroform 14.47
    n-propyl acetate 8.07
    acetic acid 39.24
    dichloromethane 11.27
    cyclohexanone 30.76
    propylene glycol 11.51
    isopropyl acetate 12.86
    DMAc 50.89
    2-ethoxyethanol 46.79
    isopentanol 7.24
    n-heptane 0.26
    ethyl formate 10.48
    1,2-dichloroethane 8.96
    n-hexanol 10.76
    2-methoxyethanol 103.2
    isobutyl acetate 6.52
    tetrachloromethane 3.61
    n-pentyl acetate 11.72
    transcutol 68.6
    n-heptanol 8.37
    ethylbenzene 2.8
    MIBK 13.92
    2-propoxyethanol 77.38
    tert-butanol 10.91
    MTBE 4.18
    2-butoxyethanol 37.88
    propionic acid 10.05
    o-xylene 3.5
    formic acid 37.4
    diethyl ether 9.34
    m-xylene 5.1
    p-xylene 3.37
    chlorobenzene 5.7
    dimethyl carbonate 15.01
    n-octane 0.19
    formamide 48.88
    cyclopentanone 66.98
    2-pentanone 16.13
    anisole 9.81
    cyclopentyl methyl ether 22.29
    gamma-butyrolactone 61.5
    1-methoxy-2-propanol 66.01
    pyridine 24.51
    3-pentanone 9.27
    furfural 38.26
    n-dodecane 0.13
    diethylene glycol 79.63
    diisopropyl ether 2.52
    tert-amyl alcohol 2.78
    acetylacetone 40.91
    n-hexadecane 0.15
    acetophenone 12.56
    methyl propionate 12.81
    isopentyl acetate 10.64
    trichloroethylene 17.9
    n-nonanol 5.51
    cyclohexanol 5.23
    benzyl alcohol 13.53
    2-ethylhexanol 3.95
    isooctanol 6.1
    dipropyl ether 5.67
    1,2-dichlorobenzene 5.35
    ethyl lactate 10.6
    propylene carbonate 19.15
    n-methylformamide 49.8
    2-pentanol 3.26
    n-pentane 0.22
    1-propoxy-2-propanol 34.48
    1-methoxy-2-propyl acetate 30.29
    2-(2-methoxypropoxy) propanol 22.11
    mesitylene 2.94
    ε-caprolactone 22.6
    p-cymene 2.44
    epichlorohydrin 70.52
    1,1,1-trichloroethane 5.9
    2-aminoethanol 31.93
    morpholine-4-carbaldehyde 71.73
    sulfolane 74.41
    2,2,4-trimethylpentane 0.13
    2-methyltetrahydrofuran 24.64
    n-hexyl acetate 11.41
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 37.66
    sec-butyl acetate 5.47
    tert-butyl acetate 14.65
    decalin 0.32
    glycerin 35.88
    diglyme 63.75
    acrylic acid 14.22
    isopropyl myristate 3.63
    n-butyric acid 16.07
    acetyl acetate 15.34
    di(2-ethylhexyl) phthalate 7.28
    ethyl propionate 7.24
    nitromethane 58.45
    1,2-diethoxyethane 15.93
    benzonitrile 9.6
    trioctyl phosphate 5.63
    1-bromopropane 2.79
    gamma-valerolactone 101.17
    n-decanol 3.3
    triethyl phosphate 5.51
    4-methyl-2-pentanol 3.89
    propionitrile 6.19
    vinylene carbonate 20.11
    1,1,2-trichlorotrifluoroethane 41.41
    DMS 11.94
    cumene 2.17
    2-octanol 3.58
    2-hexanone 8.93
    octyl acetate 5.64
    limonene 2.58
    1,2-dimethoxyethane 55.25
    ethyl orthosilicate 5.07
    tributyl phosphate 4.52
    diacetone alcohol 24.11
    N,N-dimethylaniline 6.68
    acrylonitrile 10.62
    aniline 9.17
    1,3-propanediol 41.53
    bromobenzene 4.85
    dibromomethane 6.25
    1,1,2,2-tetrachloroethane 14.09
    2-methyl-cyclohexyl acetate 8.33
    tetrabutyl urea 7.25
    diisobutyl methanol 2.86
    2-phenylethanol 18.43
    styrene 2.75
    dioctyl adipate 7.06
    dimethyl sulfate 28.3
    ethyl butyrate 7.52
    methyl lactate 20.08
    butyl lactate 14.81
    diethyl carbonate 5.19
    propanediol butyl ether 27.9
    triethyl orthoformate 7.4
    p-tert-butyltoluene 2.34
    methyl 4-tert-butylbenzoate 18.06
    morpholine 66.39
    tert-butylamine 2.83
    n-dodecanol 1.92
    dimethoxymethane 107.66
    ethylene carbonate 17.65
    cyrene 27.43
    2-ethoxyethyl acetate 23.89
    2-ethylhexyl acetate 7.05
    1,2,4-trichlorobenzene 7.03
    4-methylpyridine 15.87
    dibutyl ether 3.16
    2,6-dimethyl-4-heptanol 2.86
    DEF 13.52
    dimethyl isosorbide 40.56
    tetrachloroethylene 13.03
    eugenol 21.23
    triacetin 16.79
    span 80 18.94
    1,4-butanediol 14.25
    1,1-dichloroethane 5.46
    2-methyl-1-pentanol 3.81
    methyl formate 39.9
    2-methyl-1-butanol 3.89
    n-decane 0.29
    butyronitrile 6.64
    3,7-dimethyl-1-octanol 3.88
    1-chlorooctane 1.45
    1-chlorotetradecane 0.47
    n-nonane 0.24
    undecane 0.18
    tert-butylcyclohexane 0.25
    cyclooctane 0.24
    cyclopentanol 10.58
    tetrahydropyran 25.08
    tert-amyl methyl ether 2.79
    2,5,8-trioxanonane 41.81
    1-hexene 0.86
    2-isopropoxyethanol 22.66
    2,2,2-trifluoroethanol 19.09
    methyl butyrate 8.96

    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