Diosgenin

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  • Identifiers

    CAS number
    512-04-9

    Molecular formula
    C27H42O3

    SMILES
    C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Woody 65.23%
    Floral 40.16%
    Fruity 39.47%
    Spicy 39.13%
    Herbal 37.71%
    Amber 37.55%
    Balsamic 33.38%
    Sweet 32.87%
    Sandalwood 32.38%
    Fresh 32.29%

     

    Flavor
    Earthy 39.54%
    Spicy 30.75%
    Bitter 29.83%
    Fruity 29.8%
    Sweet 28.32%
    Fruit 28.16%
    Herbal 27.82%
    Fresh 26.49%
    Fatty 25.96%
    Herb 25.54%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    6.46 (neutral)

    Molecular weight
    414.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    268°C

    Flash point

    • 201.64 ˚C est.

  • Synonyms

    • DIOSGENIN
    • 512-04-9
    • Nitogenin
    • (3beta,25R)-spirost-5-en-3-ol
    • K49P2K8WLX
    • CHEBI:4629
    • DTXSID00895074
    • (25R)-spirost-5-en-3beta-diol
    • Spirost-5-en-3-ol, (3beta,25R)-
    • NSC-33396
    • (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icos-18-ene-6,2'-oxane)-16-ol
    • (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-ol
    • RefChem:5766
    • DTXCID301324626
    • 208-134-3
    • Diosgenine
    • MFCD00016887
    • DISOGENIN
    • (2'R,4S,5'R,6aR,6bS,8aS,8bR,9S,11aS,12aS,12bS)-5',6a,8a,9-Tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-ol
    • (25R)-Spirost-5-en-3beta-ol
    • (20R,25R)-Spirost-5-en-3beta-ol
    • NSC 33396
    • (25R)-14beta,17beta-spirost-5-en-3beta-ol
    • 3beta-Hydroxy-5-spirostene
    • SP 37
    • Spirost-5-en-3beta-ol, (25R)-
    • UNII-K49P2K8WLX
    • (25R)-5-Spirosten-3beta-ol
    • Spirost-5-en-3-ol, (3b,25R)-
    • nitrogen in
    • CCRIS 6803
    • Diosgenin CRS
    • 22alpha-Spirost-5-en-3beta-ol
    • (7S,8S,10S,13S,15S,18S,22S,3R,12R,14R,19R)-3,13,15,19-tetramethyl-11-oxaspiro[ 2H-3,4,5,6-tetrahydropyran-6,6'-pentacyclo[10.8.0.0<2,9>.0<4,8>.0<13,18>]icosa ne]-24-en-22-ol
    • YUV
    • EINECS 208-134-3
    • Diosgenin (Standard)
    • BRN 0094582
    • Diosgenin, >=93%
    • DIOSGENIN [MI]
    • 3A-Hydroxy-5-spirostene
    • 3?-Hydroxy-5-spirostene
    • DIOSGENIN [WHO-DD]
    • SCHEMBL83359
    • 5-19-03-00030 (Beilstein Handbook Reference)
    • (25R)-5-Spirosten-3b-ol
    • (25R)-5-Spirosten-3A-ol
    • CHEMBL412437
    • orb1304911
    • HY-N0177R
    • WLZ4700
    • BB_NC-00149
    • HY-N0177
    • BDBM50617158
    • EBC-50097
    • LMST01080037
    • MSK159048
    • SBB058140
    • (3|_,25R)-spirost-5-en-3-ol
    • (3|A,25R)-Spirost-5-en-3-ol
    • AKOS015961083
    • Spirost-5-en-3-beta-ol, (25R)-
    • CS-5303
    • NCGC00386027-01
    • Spirost-5-en-3-ol, (3-beta,25R)-
    • AS-13640
    • ST097775
    • SY015253
    • NS00014256
    • S2291
    • (3.BETA.,25R)-SPIROST-5-EN-3-OL
    • C08898
    • M03858
    • EN300-7388351
    • 512D049
    • F012718
    • Q1107734
    • BRD-K28690501-001-02-1
    • DIOSGENIN (CONSTITUENT OF FENUGREEK SEED) [DSC]
    • Z1741961122
    • Diosgenin, European Pharmacopoeia (EP) Reference Standard
    • (25R)-5-Spirosten-3(1/4)?-ol ; 3(1/4)?-Hydroxy-5-spirostene
    • (1'S,2R,2'S,4'S,5R,7'S,8'R,9'S,12'S,13'R,16'S)-5,7',9',13'-tetramethyl-5'-oxaspiro[oxane-2,6'-pentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan]-18'-en-16'-ol
    • (1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-tetrahydropyran]-16-ol
    • 512-04-9

  • Applications

    Diosgenin (CAS 512-04-9) is a steroidal sapogenin derived mainly from Dioscorea species (yam). In pharmaceutical manufacturing, it is primarily used as a starting material for the semi-synthesis of steroid hormones and related APIs, enabling routes to progesterone, corticosteroids, and other steroid backbones. It also serves as a building block in industrial chemical synthesis for steroidal compounds. In formulation development, diosgenin-containing plant extracts are occasionally evaluated for bioactive properties and used as botanical ingredients in cosmetics and personal care products. In research and industrial settings, it is used as a model compound and starting point for steroid synthesis and structural studies. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.19
    methanol 5.28
    isopropanol 5.22
    water 0.33
    ethyl acetate 23.13
    n-propanol 11.02
    acetone 19.25
    n-butanol 19.23
    acetonitrile 30.49
    DMF 13.89
    toluene 48.6
    isobutanol 9.03
    1,4-dioxane 40.66
    methyl acetate 14.25
    THF 61.2
    2-butanone 19.9
    n-pentanol 18.41
    sec-butanol 2.06
    n-hexane 0.9
    ethylene glycol 1.65
    NMP 38.66
    cyclohexane 2.65
    DMSO 15.89
    n-butyl acetate 28.53
    n-octanol 11.98
    chloroform 84.5
    n-propyl acetate 20.34
    acetic acid 16.22
    dichloromethane 54.33
    cyclohexanone 54.93
    propylene glycol 1.55
    isopropyl acetate 25.81
    DMAc 31.5
    2-ethoxyethanol 27.45
    isopentanol 19.21
    n-heptane 1.3
    ethyl formate 13.41
    1,2-dichloroethane 31.05
    n-hexanol 23.4
    2-methoxyethanol 23.2
    isobutyl acetate 23.71
    tetrachloromethane 13.49
    n-pentyl acetate 32.43
    transcutol 86.96
    n-heptanol 21.14
    ethylbenzene 16.43
    MIBK 29.66
    2-propoxyethanol 56.73
    tert-butanol 4.41
    MTBE 5.64
    2-butoxyethanol 49.81
    propionic acid 9.95
    o-xylene 22.26
    formic acid 6.7
    diethyl ether 14.57
    m-xylene 33.88
    p-xylene 19.96
    chlorobenzene 47.73
    dimethyl carbonate 15.13
    n-octane 0.44
    formamide 10.5
    cyclopentanone 48.95
    2-pentanone 28.35
    anisole 35.04
    cyclopentyl methyl ether 31.52
    gamma-butyrolactone 47.22
    1-methoxy-2-propanol 22.81
    pyridine 64.21
    3-pentanone 24.03
    furfural 55.29
    n-dodecane 0.58
    diethylene glycol 25.44
    diisopropyl ether 7.28
    tert-amyl alcohol 2.55
    acetylacetone 36.86
    n-hexadecane 0.74
    acetophenone 39.58
    methyl propionate 20.74
    isopentyl acetate 34.17
    trichloroethylene 68.01
    n-nonanol 15.75
    cyclohexanol 12.43
    benzyl alcohol 30.91
    2-ethylhexanol 17.04
    isooctanol 18.12
    dipropyl ether 16.71
    1,2-dichlorobenzene 43.53
    ethyl lactate 14.71
    propylene carbonate 28.0
    n-methylformamide 12.21
    2-pentanol 6.82
    n-pentane 1.06
    1-propoxy-2-propanol 34.3
    1-methoxy-2-propyl acetate 46.35
    2-(2-methoxypropoxy) propanol 35.03
    mesitylene 17.41
    ε-caprolactone 47.41
    p-cymene 13.54
    epichlorohydrin 55.71
    1,1,1-trichloroethane 26.81
    2-aminoethanol 5.17
    morpholine-4-carbaldehyde 54.04
    sulfolane 40.67
    2,2,4-trimethylpentane 0.73
    2-methyltetrahydrofuran 22.67
    n-hexyl acetate 33.1
    isooctane 0.99
    2-(2-butoxyethoxy)ethanol 48.24
    sec-butyl acetate 18.57
    tert-butyl acetate 25.68
    decalin 2.22
    glycerin 5.41
    diglyme 82.23
    acrylic acid 11.27
    isopropyl myristate 16.21
    n-butyric acid 29.9
    acetyl acetate 27.59
    di(2-ethylhexyl) phthalate 22.1
    ethyl propionate 20.91
    nitromethane 30.34
    1,2-diethoxyethane 26.94
    benzonitrile 43.36
    trioctyl phosphate 14.85
    1-bromopropane 16.64
    gamma-valerolactone 88.15
    n-decanol 10.48
    triethyl phosphate 16.73
    4-methyl-2-pentanol 10.17
    propionitrile 26.21
    vinylene carbonate 38.22
    1,1,2-trichlorotrifluoroethane 34.29
    DMS 21.59
    cumene 12.37
    2-octanol 8.55
    2-hexanone 22.69
    octyl acetate 19.46
    limonene 12.59
    1,2-dimethoxyethane 36.15
    ethyl orthosilicate 18.06
    tributyl phosphate 14.24
    diacetone alcohol 23.33
    N,N-dimethylaniline 23.52
    acrylonitrile 30.38
    aniline 36.29
    1,3-propanediol 13.14
    bromobenzene 53.19
    dibromomethane 39.01
    1,1,2,2-tetrachloroethane 44.33
    2-methyl-cyclohexyl acetate 30.01
    tetrabutyl urea 19.96
    diisobutyl methanol 10.22
    2-phenylethanol 42.88
    styrene 19.36
    dioctyl adipate 24.33
    dimethyl sulfate 19.01
    ethyl butyrate 25.53
    methyl lactate 13.51
    butyl lactate 26.1
    diethyl carbonate 18.32
    propanediol butyl ether 22.86
    triethyl orthoformate 25.92
    p-tert-butyltoluene 11.75
    methyl 4-tert-butylbenzoate 41.06
    morpholine 38.18
    tert-butylamine 3.44
    n-dodecanol 6.89
    dimethoxymethane 31.5
    ethylene carbonate 34.4
    cyrene 38.04
    2-ethoxyethyl acetate 45.13
    2-ethylhexyl acetate 29.38
    1,2,4-trichlorobenzene 49.92
    4-methylpyridine 56.39
    dibutyl ether 10.07
    2,6-dimethyl-4-heptanol 10.22
    DEF 25.96
    dimethyl isosorbide 58.42
    tetrachloroethylene 35.62
    eugenol 45.03
    triacetin 35.96
    span 80 29.19
    1,4-butanediol 6.84
    1,1-dichloroethane 22.59
    2-methyl-1-pentanol 16.5
    methyl formate 8.99
    2-methyl-1-butanol 11.38
    n-decane 1.17
    butyronitrile 27.66
    3,7-dimethyl-1-octanol 13.09
    1-chlorooctane 6.34
    1-chlorotetradecane 2.48
    n-nonane 0.78
    undecane 0.79
    tert-butylcyclohexane 1.59
    cyclooctane 1.37
    cyclopentanol 9.28
    tetrahydropyran 30.41
    tert-amyl methyl ether 5.77
    2,5,8-trioxanonane 55.29
    1-hexene 4.16
    2-isopropoxyethanol 23.18
    2,2,2-trifluoroethanol 10.9
    methyl butyrate 22.61

    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