(1beta,3beta,24S,25R)-Spirost-5-ene-1,3,24-triol

Overview IFRA Request a quote

  • Identifiers

    CAS number
    114317-59-8

    Molecular formula
    C27H42O5

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 51.55%
    Spicy 39.96%
    Sweet 35.46%
    Balsamic 31.62%
    Herbal 29.74%
    Earthy 28.49%
    Mint 27.25%
    Sandalwood 26.34%
    Amber 25.94%
    Odorless 25.51%

     

    Flavor
    Bitter 49.09%
    Fatty 38.09%
    Earthy 25.41%
    Cedarleaf 23.02%
    Sweet-like 22.84%
    Metallic 22.59%
    Fruit 22.51%
    Beet 22.2%
    Patchouli 22.01%
    Sweet 21.94%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.7

    pKa est.
    5.95 (weak acid)

    Molecular weight
    446.6 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    121°C

    Flash point

    • 229.98 ˚C est.

  • Synonyms

    • 114317-59-8
    • RefChem:204789
    • (1beta,3beta,24S,25R)-Spirost-5-ene-1,3,24-triol
    • (24s,25r)-spirost-5-ene-1beta,3beta,24-triol
    • DTXSID701264961
    • (24S,25R)-Spirost-5-en-1beta,3beta,24-triol
    • (1I(2),3I(2),24S,25R)-Spirost-5-ene-1,3,24-triol
    • 114317-59-8

  • Applications

    The substance (1beta,3beta,24S,25R)-Spirost-5-ene-1,3,24-triol (CAS 114317-59-8) is primarily viewed as a steroid synthesis intermediate, serving as a feedstock for the industrial production of pharmaceutical steroids and sex hormones via semi-synthetic routes. It is also recognized as a foundational building block for corticosteroids and other steroid derivatives obtained through synthetic pathways. In cosmetics and personal care, it can be converted into active sterol derivatives as an intermediate or formulation component. Additionally, this compound is commonly used in chemical R&D as a chiral building block to construct more complex steroid architectures. In the chemical industry, it can function as a specialized precursor for steroid-based manufacturing processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11.68
    methanol 19.59
    isopropanol 4.63
    water 0.34
    ethyl acetate 11.71
    n-propanol 10.98
    acetone 22.58
    n-butanol 9.87
    acetonitrile 16.24
    DMF 43.94
    toluene 9.48
    isobutanol 5.91
    1,4-dioxane 32.05
    methyl acetate 9.74
    THF 76.74
    2-butanone 14.15
    n-pentanol 8.8
    sec-butanol 1.57
    n-hexane 0.21
    ethylene glycol 4.61
    NMP 43.65
    cyclohexane 0.47
    DMSO 60.6
    n-butyl acetate 11.36
    n-octanol 6.13
    chloroform 38.73
    n-propyl acetate 8.9
    acetic acid 30.56
    dichloromethane 25.86
    cyclohexanone 35.28
    propylene glycol 3.3
    isopropyl acetate 10.67
    DMAc 44.63
    2-ethoxyethanol 28.72
    isopentanol 7.57
    n-heptane 0.32
    ethyl formate 11.8
    1,2-dichloroethane 14.34
    n-hexanol 10.79
    2-methoxyethanol 40.54
    isobutyl acetate 9.35
    tetrachloromethane 5.75
    n-pentyl acetate 15.24
    transcutol 49.2
    n-heptanol 10.45
    ethylbenzene 3.46
    MIBK 13.52
    2-propoxyethanol 50.67
    tert-butanol 3.22
    MTBE 2.51
    2-butoxyethanol 37.15
    propionic acid 10.58
    o-xylene 4.63
    formic acid 21.02
    diethyl ether 6.14
    m-xylene 6.8
    p-xylene 4.53
    chlorobenzene 13.77
    dimethyl carbonate 15.12
    n-octane 0.13
    formamide 27.48
    cyclopentanone 47.98
    2-pentanone 15.91
    anisole 11.1
    cyclopentyl methyl ether 16.99
    gamma-butyrolactone 46.2
    1-methoxy-2-propanol 30.74
    pyridine 35.81
    3-pentanone 11.64
    furfural 45.17
    n-dodecane 0.15
    diethylene glycol 36.3
    diisopropyl ether 1.95
    tert-amyl alcohol 1.69
    acetylacetone 25.68
    n-hexadecane 0.18
    acetophenone 15.73
    methyl propionate 14.01
    isopentyl acetate 12.93
    trichloroethylene 36.94
    n-nonanol 7.57
    cyclohexanol 5.41
    benzyl alcohol 15.5
    2-ethylhexanol 5.67
    isooctanol 8.12
    dipropyl ether 5.66
    1,2-dichlorobenzene 13.0
    ethyl lactate 10.33
    propylene carbonate 20.66
    n-methylformamide 29.61
    2-pentanol 2.87
    n-pentane 0.25
    1-propoxy-2-propanol 25.63
    1-methoxy-2-propyl acetate 25.05
    2-(2-methoxypropoxy) propanol 22.27
    mesitylene 3.43
    ε-caprolactone 28.24
    p-cymene 3.4
    epichlorohydrin 50.54
    1,1,1-trichloroethane 10.2
    2-aminoethanol 10.92
    morpholine-4-carbaldehyde 59.36
    sulfolane 52.36
    2,2,4-trimethylpentane 0.16
    2-methyltetrahydrofuran 13.91
    n-hexyl acetate 15.45
    isooctane 0.19
    2-(2-butoxyethoxy)ethanol 32.55
    sec-butyl acetate 6.36
    tert-butyl acetate 11.24
    decalin 0.41
    glycerin 12.76
    diglyme 54.93
    acrylic acid 15.76
    isopropyl myristate 5.33
    n-butyric acid 20.75
    acetyl acetate 15.26
    di(2-ethylhexyl) phthalate 11.0
    ethyl propionate 8.56
    nitromethane 51.78
    1,2-diethoxyethane 10.49
    benzonitrile 17.09
    trioctyl phosphate 7.66
    1-bromopropane 4.97
    gamma-valerolactone 83.85
    n-decanol 4.39
    triethyl phosphate 6.77
    4-methyl-2-pentanol 3.82
    propionitrile 12.54
    vinylene carbonate 29.23
    1,1,2-trichlorotrifluoroethane 41.56
    DMS 12.03
    cumene 2.64
    2-octanol 3.62
    2-hexanone 10.55
    octyl acetate 8.14
    limonene 3.39
    1,2-dimethoxyethane 32.3
    ethyl orthosilicate 6.57
    tributyl phosphate 6.46
    diacetone alcohol 16.34
    N,N-dimethylaniline 7.78
    acrylonitrile 20.81
    aniline 13.81
    1,3-propanediol 18.62
    bromobenzene 12.03
    dibromomethane 15.01
    1,1,2,2-tetrachloroethane 24.64
    2-methyl-cyclohexyl acetate 11.83
    tetrabutyl urea 9.74
    diisobutyl methanol 3.16
    2-phenylethanol 20.77
    styrene 4.0
    dioctyl adipate 10.81
    dimethyl sulfate 22.5
    ethyl butyrate 9.11
    methyl lactate 16.72
    butyl lactate 16.24
    diethyl carbonate 6.62
    propanediol butyl ether 21.37
    triethyl orthoformate 9.21
    p-tert-butyltoluene 3.01
    methyl 4-tert-butylbenzoate 20.79
    morpholine 35.66
    tert-butylamine 1.49
    n-dodecanol 2.46
    dimethoxymethane 46.94
    ethylene carbonate 23.54
    cyrene 28.54
    2-ethoxyethyl acetate 25.33
    2-ethylhexyl acetate 10.0
    1,2,4-trichlorobenzene 16.58
    4-methylpyridine 23.72
    dibutyl ether 3.23
    2,6-dimethyl-4-heptanol 3.16
    DEF 16.76
    dimethyl isosorbide 36.43
    tetrachloroethylene 21.07
    eugenol 25.47
    triacetin 19.42
    span 80 19.52
    1,4-butanediol 9.15
    1,1-dichloroethane 9.13
    2-methyl-1-pentanol 6.18
    methyl formate 20.33
    2-methyl-1-butanol 5.0
    n-decane 0.32
    butyronitrile 11.52
    3,7-dimethyl-1-octanol 5.24
    1-chlorooctane 1.95
    1-chlorotetradecane 0.65
    n-nonane 0.23
    undecane 0.21
    tert-butylcyclohexane 0.3
    cyclooctane 0.26
    cyclopentanol 6.93
    tetrahydropyran 16.9
    tert-amyl methyl ether 2.29
    2,5,8-trioxanonane 35.78
    1-hexene 1.04
    2-isopropoxyethanol 17.35
    2,2,2-trifluoroethanol 16.44
    methyl butyrate 10.68

    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