Hyodeoxycholic Acid

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  • Identifiers

    CAS number
    83-49-8

    Molecular formula
    C24H40O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 65.97%
    Balsamic 49.85%
    Sandalwood 41.32%
    Amber 40.58%
    Sweet 40.25%
    Dry 34.26%
    Spicy 34.01%
    Cedar 31.84%
    Mint 29.68%
    Animal 29.58%

     

    Flavor
    Fruity 37.33%
    Sweet 32.53%
    Fruit 31.06%
    Herbal 30.55%
    Odorless 28.34%
    Minty 27.41%
    Fatty 27.28%
    Woody 25.76%
    Herb 25.52%
    Mild 23.17%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.9

    pKa est.
    6.17 (neutral)

    Molecular weight
    392.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    160°C

    Flash point

    • 264.96 ˚C est.

  • Synonyms

    • HYODEOXYCHOLIC ACID
    • 83-49-8
    • Hyodesoxycholic acid
    • HDCA
    • Iodeoxycholic acid
    • 7-Deoxyhyocholic acid
    • 3alpha,6alpha-Dihydroxy-5beta-cholan-24-oic acid
    • HYODEOXYCHOLIC_ACID
    • 7A33Y6EHYK
    • AHRO-001
    • alpha-Hyodeoxycholic acid
    • NSC-60672
    • 3alpha,6alpha-Dihydroxy-5beta-cholanic acid
    • CHEBI:52023
    • DTXSID001018971
    • (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-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]pentanoic acid
    • (4R)-4-((3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-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)pentanoic acid
    • RefChem:147346
    • DTXCID701476978
    • 3 alpha,6 alpha-dihydroxy-5 beta-cholan-24-oic acid
    • 201-483-2
    • .alpha.-Hyodeoxycholic acid
    • MFCD00003681
    • NSC 60672
    • 3alpha,6alpha-Dihydroxy-5beta-cholanoic acid
    • hyodeoxycholicacid
    • Hyodeoxycholic acid (HDCA)
    • a-Hyodeoxycholic acid
    • Hyodesoxycholsaeure
    • (R)-4-((3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
    • UNII-7A33Y6EHYK
    • 6-alpha-Hydroxylithocholic acid
    • Hyodesoxycholsaure
    • hyodeoxycholic-acid
    • 3.alpha.,6.alpha.-Dihydroxycholanic acid
    • EINECS 201-483-2
    • 3alpha,6alpha-Dihydroxycholanic acid
    • Cholan-24-oic acid, 3,6-dihydroxy-, (3a,5b,6a)-
    • BRN 3218394
    • 6|A-Dihydroxy-5|A-cholan-24-oic acid
    • porcine deoxycholic acid
    • 3.alpha.,6.alpha.-Dihydroxy-5.beta.-cholanic acid
    • 5-beta-Cholanic acid-3-alpha,6-alpha-diol
    • 3.alpha.,6.alpha.-Dihydroxy-5.beta.-cholanoic acid
    • 3alpha,6alpha-Dihydroxy-5beta-cholan-24-saeure
    • 4-10-00-01600 (Beilstein Handbook Reference)
    • Hyodeoxycholic acid, >=98%
    • SCHEMBL207643
    • 3-alpha,6-alpha-Dihydroxy-5-beta-cholan-24-oic acid
    • CHEMBL272621
    • HDCA;NSC 60672
    • orb1304791
    • Cholan-24-oic acid, 3,6-dihydroxy-, (3.alpha.,5.beta.,6.alpha.)-
    • HYODEOXYCHOLIC ACID [MI]
    • MSK1695
    • 6-.alpha.-Hydroxylithocholic acid
    • Cholan-24-oic acid, 3,6-dihydroxy-, (3alpha,5beta,6alpha)-
    • HY-N0169
    • BDBM50375596
    • HYODEOXYCHOLIC ACID [WHO-DD]
    • LMST04010024
    • s2311
    • AKOS022168200
    • CCG-268566
    • DB11789
    • EBC-314053
    • FH11886
    • 5beta-Cholanic acid-3alpha,6alpha-diol
    • SMP1_000164
    • NCGC00386169-01
    • 3|A
    • AS-14254
    • CS-0007886
    • NS00038257
    • 003H681
    • F516405
    • (5beta)-3alpha,6alpha-dihydroxy-cholan-24-oic acid
    • 5-.beta.-Cholanic acid-3-.alpha.,6-.alpha.-diol
    • Q5957042
    • 5beta-Cholan-24-oic acid, 3alpha,6alpha-dihydroxy-
    • BRD-K44009692-001-02-3
    • 5-beta-Cholan-24-oic acid, 3-alpha,6-alpha-dihydroxy-
    • 3-.alpha.,6-.alpha.-Dihydroxy-5-.beta.-cholan-24-oic acid
    • 5.beta.-Cholan-24-oic acid, 3.alpha.,6.alpha.-dihydroxy-
    • 3,6-Dihydroxy-5.beta.-cholan-24-oic acid, (3.alpha.,6.alpha.)-
    • (3.ALPHA.,5.BETA.,6.ALPHA.)-3,6-DIHYDROXYCHOLAN-24-OIC ACID
    • (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-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]pentanoicacid
    • 83-49-8

  • Applications

    Hyodeoxycholic Acid (CAS 83-49-8) is primarily used as a pharmaceutical excipient and solubilizer for poorly water-soluble drugs, leveraging its amphiphilic steroid structure to form micelles and improve drug dispersion. In cosmetic and personal-care formulations it serves as a stabilizer and emulsifier for creams, lotions, and cleansers. In industrial manufacturing it is a precursor for the synthesis of bile-acid–derived surfactants and functionalized intermediates used in specialty cleaners and coatings. It also serves as a starting material for the preparation of steroid derivatives and fine chemicals for pharmaceutical and other industrial applications. Additionally, it is evaluated for analytical applications such as chiral selectors or stationary-phase modifiers in chromatography to aid analysis of organic compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 37.66
    methanol 43.82
    isopropanol 17.93
    water 0.43
    ethyl acetate 17.82
    n-propanol 25.97
    acetone 34.36
    n-butanol 16.99
    acetonitrile 8.1
    DMF 45.9
    toluene 9.52
    isobutanol 11.87
    1,4-dioxane 53.47
    methyl acetate 10.9
    THF 241.57
    2-butanone 16.64
    n-pentanol 8.42
    sec-butanol 4.56
    n-hexane 0.32
    ethylene glycol 5.81
    NMP 26.54
    cyclohexane 0.71
    DMSO 78.97
    n-butyl acetate 15.67
    n-octanol 6.27
    chloroform 27.44
    n-propyl acetate 10.44
    acetic acid 24.35
    dichloromethane 17.16
    cyclohexanone 32.95
    propylene glycol 6.87
    isopropyl acetate 18.85
    DMAc 43.51
    2-ethoxyethanol 36.28
    isopentanol 13.16
    n-heptane 0.4
    ethyl formate 9.87
    1,2-dichloroethane 11.81
    n-hexanol 15.1
    2-methoxyethanol 71.09
    isobutyl acetate 9.56
    tetrachloromethane 5.33
    n-pentyl acetate 16.52
    transcutol 85.34
    n-heptanol 11.72
    ethylbenzene 3.86
    MIBK 18.2
    2-propoxyethanol 77.85
    tert-butanol 14.35
    MTBE 8.33
    2-butoxyethanol 43.32
    propionic acid 10.87
    o-xylene 5.31
    formic acid 15.29
    diethyl ether 14.42
    m-xylene 8.33
    p-xylene 4.56
    chlorobenzene 9.0
    dimethyl carbonate 14.09
    n-octane 0.23
    formamide 22.53
    cyclopentanone 56.83
    2-pentanone 21.54
    anisole 12.25
    cyclopentyl methyl ether 26.98
    gamma-butyrolactone 51.48
    1-methoxy-2-propanol 60.82
    pyridine 27.67
    3-pentanone 12.34
    furfural 35.44
    n-dodecane 0.15
    diethylene glycol 56.62
    diisopropyl ether 4.14
    tert-amyl alcohol 4.73
    acetylacetone 36.44
    n-hexadecane 0.18
    acetophenone 14.12
    methyl propionate 16.46
    isopentyl acetate 17.95
    trichloroethylene 27.14
    n-nonanol 6.99
    cyclohexanol 8.52
    benzyl alcohol 14.9
    2-ethylhexanol 6.18
    isooctanol 8.87
    dipropyl ether 8.03
    1,2-dichlorobenzene 7.9
    ethyl lactate 11.06
    propylene carbonate 20.09
    n-methylformamide 27.33
    2-pentanol 5.98
    n-pentane 0.45
    1-propoxy-2-propanol 42.33
    1-methoxy-2-propyl acetate 40.98
    2-(2-methoxypropoxy) propanol 25.15
    mesitylene 4.38
    ε-caprolactone 26.48
    p-cymene 3.56
    epichlorohydrin 60.5
    1,1,1-trichloroethane 10.43
    2-aminoethanol 18.83
    morpholine-4-carbaldehyde 49.72
    sulfolane 54.66
    2,2,4-trimethylpentane 0.27
    2-methyltetrahydrofuran 31.94
    n-hexyl acetate 15.62
    isooctane 0.35
    2-(2-butoxyethoxy)ethanol 42.36
    sec-butyl acetate 8.02
    tert-butyl acetate 20.23
    decalin 0.48
    glycerin 17.9
    diglyme 71.05
    acrylic acid 11.98
    isopropyl myristate 4.65
    n-butyric acid 23.16
    acetyl acetate 16.76
    di(2-ethylhexyl) phthalate 8.52
    ethyl propionate 9.92
    nitromethane 35.07
    1,2-diethoxyethane 19.33
    benzonitrile 10.66
    trioctyl phosphate 6.43
    1-bromopropane 5.13
    gamma-valerolactone 83.44
    n-decanol 4.02
    triethyl phosphate 7.27
    4-methyl-2-pentanol 6.37
    propionitrile 7.9
    vinylene carbonate 21.12
    1,1,2-trichlorotrifluoroethane 37.89
    DMS 13.85
    cumene 2.89
    2-octanol 4.76
    2-hexanone 10.62
    octyl acetate 6.9
    limonene 3.65
    1,2-dimethoxyethane 45.1
    ethyl orthosilicate 7.24
    tributyl phosphate 5.66
    diacetone alcohol 26.96
    N,N-dimethylaniline 8.16
    acrylonitrile 10.99
    aniline 14.43
    1,3-propanediol 33.25
    bromobenzene 7.6
    dibromomethane 10.28
    1,1,2,2-tetrachloroethane 21.45
    2-methyl-cyclohexyl acetate 11.45
    tetrabutyl urea 7.87
    diisobutyl methanol 4.25
    2-phenylethanol 21.58
    styrene 3.79
    dioctyl adipate 8.35
    dimethyl sulfate 23.71
    ethyl butyrate 11.39
    methyl lactate 18.33
    butyl lactate 18.78
    diethyl carbonate 7.3
    propanediol butyl ether 26.89
    triethyl orthoformate 11.0
    p-tert-butyltoluene 3.46
    methyl 4-tert-butylbenzoate 22.14
    morpholine 63.67
    tert-butylamine 5.03
    n-dodecanol 2.27
    dimethoxymethane 80.54
    ethylene carbonate 19.24
    cyrene 25.51
    2-ethoxyethyl acetate 30.68
    2-ethylhexyl acetate 11.72
    1,2,4-trichlorobenzene 11.2
    4-methylpyridine 19.6
    dibutyl ether 4.1
    2,6-dimethyl-4-heptanol 4.25
    DEF 16.18
    dimethyl isosorbide 45.23
    tetrachloroethylene 17.64
    eugenol 25.12
    triacetin 19.93
    span 80 20.31
    1,4-butanediol 9.45
    1,1-dichloroethane 10.11
    2-methyl-1-pentanol 6.34
    methyl formate 18.46
    2-methyl-1-butanol 8.05
    n-decane 0.36
    butyronitrile 9.74
    3,7-dimethyl-1-octanol 5.49
    1-chlorooctane 1.94
    1-chlorotetradecane 0.56
    n-nonane 0.29
    undecane 0.22
    tert-butylcyclohexane 0.41
    cyclooctane 0.36
    cyclopentanol 12.77
    tetrahydropyran 35.15
    tert-amyl methyl ether 5.04
    2,5,8-trioxanonane 41.07
    1-hexene 1.32
    2-isopropoxyethanol 23.13
    2,2,2-trifluoroethanol 13.35
    methyl butyrate 11.58

    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