Sodium Deoxycholate

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  • Identifiers

    CAS number
    302-95-4

    Molecular formula
    C24H39NaO4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 62.94%
    Balsamic 49.27%
    Mint 40.58%
    Sweet 38.33%
    Sandalwood 37.75%
    Amber 35.98%
    Cooling 35.73%
    Herbal 34.73%
    Dry 30.21%
    Spicy 30.18%

     

    Flavor
    Herbal 35.42%
    Fruity 30.24%
    Woody 27.15%
    Herb 27.05%
    Minty 26.88%
    Odorless 26.32%
    Fruit 26.31%
    Bitter 24.85%
    Sweet 23.58%
    Cedarleaf 22.8%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    4.34 (weak acid)

    Molecular weight
    414.6 g/mol

    Flash point

    • 253.04 ˚C est.

  • Synonyms

    • Sodium deoxycholate
    • 302-95-4
    • Deoxycholic acid sodium salt
    • Sodium desoxycholate
    • Deoxycholate sodium
    • Desoxycholate sodium
    • Sodium 7-deoxycholate
    • Na-Desoxycholat
    • Na-Desoxycholat [German]
    • CCRIS 655
    • EINECS 206-132-7
    • UNII-436LS6U35Y
    • DTXSID5033389
    • Dihydroxy 3-12 cholanate de Na [French]
    • ATX 101
    • Dihydroxy 3-12 cholanate de Na
    • 436LS6U35Y
    • Natrium-3-alpha,12-alpha-dihydroxycholanat [German]
    • Natrium-3-alpha,12-alpha-dihydroxycholanat
    • DTXCID3013389
    • SODIUM DESOXYCHOLATE [II]
    • sodium 3alpha,12alpha-dihydroxy-5beta-cholan-24-oate
    • NSC 681065
    • 5-beta-Cholan-24-oic acid, 3-alpha,12-alpha-dihydroxy-, sodium salt
    • 3,12-Dihydroxy-cholan-24-oic acid monosodium salt, (3-alpha,5-beta,12-alpha)-
    • Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3-alpha,5-beta,12-alpha)-
    • SODIUM DESOXYCHOLATE (II)
    • ATX101
    • NaDesoxycholat
    • Sodium 7deoxycholate
    • RefChem:183853
    • Dihydroxy 312 cholanate de Na
    • SODIUM DEOXYCHOLATE [INCI]
    • Natrium3alpha,12alphadihydroxycholanat
    • Sodium 3alpha,12alphadihydroxy5betacholan24oate
    • 3alpha,12alphaDihydroxy5betacholan24oic acid sodium salt
    • 5betaCholan24oic acid, 3alpha,12alphadihydroxy, sodium salt
    • 3,12Dihydroxycholan24oic acid monosodium salt, (3alpha,5beta,12alpha)
    • Cholan24oic acid, 3,12dihydroxy, monosodium salt, (3alpha,5beta,12alpha)
    • 3,12-Dihydroxy-cholan-24-oic acid monosodium salt, (3-alpha,5-beta,12-alpha)-(9CI)
    • 3,12Dihydroxycholan24oic acid monosodium salt, (3alpha,5beta,12alpha) (9CI)
    • Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3-alpha,5-beta,12-alpha)-(9CI)
    • Cholan24oic acid, 3,12dihydroxy, monosodium salt, (3alpha,5beta,12alpha) (9CI)
    • Cholan24oic acid, 3,12dihydroxy, sodium salt (1:1), (3alpha,5beta,12alpha)
    • 206-132-7
    • Sodium deoxycholic acid
    • Deoxycholic acid, sodium salt
    • Kybella
    • NCGC00091038-01
    • MFCD00064139
    • sodium;(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-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
    • 7-Deoxycholic acid sodium salt
    • 3,12-Dihydroxy-cholan-24-oic acid monosodium salt, (3-alpha,5-beta,12-alpha)- (9CI)
    • CAS-302-95-4
    • 7-Deoxycholic Acid Sodium Salt Monohydrate
    • 3-alpha,12-alpha-Dihydroxy-5-beta-cholan-24-oic acid sodium salt
    • (4R)-4-((1S,2S,11S,16S,5R,7R,10R,14R,15R)-5,16-dihydroxy-2,15-dimethyltetracyc lo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoic acid, sodium salt
    • Sodium 3-alpha,12-alpha-dihydroxy-5-beta-cholan-24-oate
    • Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3a,5b,12a)-
    • SCHEMBL37482
    • MSK14900Na
    • MLS002695906
    • CHEBI:9177
    • Sodium desoxycholate [WHO-DD]
    • CHEMBL1365278
    • HY-N0593A
    • FHHPUSMSKHSNKW-SMOYURAASA-M
    • GLXC-06268
    • Sodium;(4R)-4-[(3R,5R,10S,12S,13R,17R)-3,12-dihydroxy-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
    • Tox21_111066
    • Tox21_200896
    • SBB057910
    • AKOS002391107
    • AKOS017345123
    • CS-8046
    • FS12338
    • Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, (3alpha,5beta,12alpha)-
    • NCGC00258450-01
    • AC-24206
    • BP-31018
    • SMR001562102
    • Sodium deoxycholate, >=97% (titration)
    • SY074798
    • NS00074301
    • ST51007214
    • Deoxycholic acid sodium salt, for electrophoresis
    • F545118
    • Q25474151
    • Sodium deoxycholate, Vetec(TM) reagent grade, >=97%
    • Sodium deoxycholate, BioXtra, >=98.0% (dry matter, NT)
    • 3-.ALPHA.,12-.ALPHA.-DIHYDROXY-5-.BETA.-CHOLAN-24-OIC ACID SODIUM SALT
    • Sodium deoxycholate, Suitable for manufacturing of diagnostic kits and reagents
    • 302-95-4

  • Applications

    Sodium Deoxycholate (CAS 302-95-4) is the sodium salt of deoxycholic acid, an anionic surfactant (emulsifier and detergent). In practical applications, it is used as an emulsifying and solubilizing agent in pharmaceuticals for poorly soluble drugs; as a surfactant and emulsifier in cosmetics and personal care; as a detergent and surfactant in household and industrial cleaning formulations; in laboratory and biotech contexts as a detergent to solubilize and extract membrane proteins; and as an emulsifier and dispersant in coatings, inks, and polymer systems to improve wetting and dispersion.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 48.69
    methanol 70.03
    isopropanol 23.29
    water 0.4
    ethyl acetate 19.21
    n-propanol 27.27
    acetone 66.52
    n-butanol 17.06
    acetonitrile 14.69
    DMF 78.66
    toluene 13.99
    isobutanol 12.39
    1,4-dioxane 89.67
    methyl acetate 13.31
    THF 331.44
    2-butanone 19.88
    n-pentanol 9.66
    sec-butanol 4.26
    n-hexane 0.27
    ethylene glycol 8.57
    NMP 25.32
    cyclohexane 0.76
    DMSO 133.86
    n-butyl acetate 17.21
    n-octanol 7.49
    chloroform 32.51
    n-propyl acetate 12.67
    acetic acid 28.86
    dichloromethane 22.16
    cyclohexanone 40.54
    propylene glycol 8.59
    isopropyl acetate 22.28
    DMAc 44.64
    2-ethoxyethanol 44.33
    isopentanol 13.82
    n-heptane 0.36
    ethyl formate 12.31
    1,2-dichloroethane 16.13
    n-hexanol 16.29
    2-methoxyethanol 89.13
    isobutyl acetate 11.76
    tetrachloromethane 6.16
    n-pentyl acetate 18.4
    transcutol 97.37
    n-heptanol 12.06
    ethylbenzene 5.39
    MIBK 21.98
    2-propoxyethanol 84.25
    tert-butanol 19.43
    MTBE 8.22
    2-butoxyethanol 45.12
    propionic acid 10.89
    o-xylene 7.41
    formic acid 16.61
    diethyl ether 15.65
    m-xylene 11.42
    p-xylene 6.7
    chlorobenzene 13.6
    dimethyl carbonate 16.35
    n-octane 0.26
    formamide 27.98
    cyclopentanone 74.64
    2-pentanone 25.18
    anisole 17.24
    cyclopentyl methyl ether 29.65
    gamma-butyrolactone 60.99
    1-methoxy-2-propanol 72.02
    pyridine 39.36
    3-pentanone 13.67
    furfural 44.08
    n-dodecane 0.2
    diethylene glycol 70.34
    diisopropyl ether 4.58
    tert-amyl alcohol 4.45
    acetylacetone 52.39
    n-hexadecane 0.25
    acetophenone 18.95
    methyl propionate 16.77
    isopentyl acetate 19.15
    trichloroethylene 32.0
    n-nonanol 8.54
    cyclohexanol 8.45
    benzyl alcohol 19.38
    2-ethylhexanol 6.48
    isooctanol 9.16
    dipropyl ether 8.54
    1,2-dichlorobenzene 11.85
    ethyl lactate 12.25
    propylene carbonate 22.34
    n-methylformamide 38.75
    2-pentanol 5.75
    n-pentane 0.35
    1-propoxy-2-propanol 44.02
    1-methoxy-2-propyl acetate 45.49
    2-(2-methoxypropoxy) propanol 28.45
    mesitylene 6.19
    ε-caprolactone 29.4
    p-cymene 4.52
    epichlorohydrin 77.93
    1,1,1-trichloroethane 12.51
    2-aminoethanol 23.21
    morpholine-4-carbaldehyde 59.53
    sulfolane 61.6
    2,2,4-trimethylpentane 0.22
    2-methyltetrahydrofuran 33.37
    n-hexyl acetate 17.49
    isooctane 0.34
    2-(2-butoxyethoxy)ethanol 48.86
    sec-butyl acetate 9.69
    tert-butyl acetate 24.85
    decalin 0.55
    glycerin 21.64
    diglyme 80.44
    acrylic acid 12.44
    isopropyl myristate 6.52
    n-butyric acid 23.18
    acetyl acetate 22.16
    di(2-ethylhexyl) phthalate 10.43
    ethyl propionate 11.3
    nitromethane 49.09
    1,2-diethoxyethane 25.48
    benzonitrile 17.19
    trioctyl phosphate 7.82
    1-bromopropane 5.52
    gamma-valerolactone 106.45
    n-decanol 5.21
    triethyl phosphate 7.95
    4-methyl-2-pentanol 6.9
    propionitrile 11.21
    vinylene carbonate 24.07
    1,1,2-trichlorotrifluoroethane 36.93
    DMS 16.71
    cumene 4.0
    2-octanol 5.25
    2-hexanone 13.31
    octyl acetate 9.08
    limonene 4.32
    1,2-dimethoxyethane 61.5
    ethyl orthosilicate 7.69
    tributyl phosphate 6.97
    diacetone alcohol 31.15
    N,N-dimethylaniline 10.7
    acrylonitrile 16.9
    aniline 17.56
    1,3-propanediol 42.24
    bromobenzene 12.32
    dibromomethane 12.93
    1,1,2,2-tetrachloroethane 23.64
    2-methyl-cyclohexyl acetate 13.09
    tetrabutyl urea 10.55
    diisobutyl methanol 4.93
    2-phenylethanol 26.92
    styrene 5.78
    dioctyl adipate 10.95
    dimethyl sulfate 24.66
    ethyl butyrate 12.47
    methyl lactate 19.13
    butyl lactate 20.26
    diethyl carbonate 8.43
    propanediol butyl ether 30.7
    triethyl orthoformate 12.28
    p-tert-butyltoluene 4.47
    methyl 4-tert-butylbenzoate 25.71
    morpholine 83.78
    tert-butylamine 6.07
    n-dodecanol 3.07
    dimethoxymethane 109.23
    ethylene carbonate 21.82
    cyrene 28.25
    2-ethoxyethyl acetate 35.38
    2-ethylhexyl acetate 12.44
    1,2,4-trichlorobenzene 14.48
    4-methylpyridine 28.19
    dibutyl ether 5.24
    2,6-dimethyl-4-heptanol 4.93
    DEF 16.2
    dimethyl isosorbide 52.6
    tetrachloroethylene 19.53
    eugenol 28.24
    triacetin 23.95
    span 80 23.34
    1,4-butanediol 13.26
    1,1-dichloroethane 12.14
    2-methyl-1-pentanol 6.38
    methyl formate 26.85
    2-methyl-1-butanol 6.93
    n-decane 0.43
    butyronitrile 13.25
    3,7-dimethyl-1-octanol 6.61
    1-chlorooctane 2.36
    1-chlorotetradecane 0.78
    n-nonane 0.34
    undecane 0.28
    tert-butylcyclohexane 0.46
    cyclooctane 0.38
    cyclopentanol 13.45
    tetrahydropyran 41.79
    tert-amyl methyl ether 4.4
    2,5,8-trioxanonane 52.01
    1-hexene 1.35
    2-isopropoxyethanol 26.41
    2,2,2-trifluoroethanol 14.6
    methyl butyrate 13.26

    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