22-Dehydroclerosterol

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  • Identifiers

    CAS number
    26315-07-1

    Molecular formula
    C29H46O

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 82.33%
    Sandalwood 54.91%
    Balsamic 41.0%
    Amber 38.43%
    Sweet 36.82%
    Waxy 33.75%
    Dry 32.93%
    Oily 32.8%
    Vetiver 31.88%
    Cedar 30.18%

     

    Flavor
    Woody 57.31%
    Wood 45.2%
    Herbal 42.36%
    Herb 39.33%
    Spice 33.21%
    Balsam 26.14%
    Balsamic 24.5%
    Waxy 24.14%
    Fir needle 22.47%
    Low 21.87%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.7

    pKa est.
    7.11 (neutral)

    Molecular weight
    410.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    515°C

    Flash point

    • 219.75 ˚C est.

  • Synonyms

    • 22-Dehydroclerosterol
    • 26315-07-1
    • Stigmasta-5,22,25-trien-3-ol, (3beta,24S,22E)-
    • (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,3E,5S)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • (3beta,22E,24S)-Stigmasta-5,22,25-trien-3-ol
    • orb1683724
    • SCHEMBL29934789
    • DTXSID401319028
    • HY-N1692
    • MFCD20260505
    • AKOS040761027
    • FS-9680
    • DA-48681
    • CS-0017354
    • (22E,24S)-Stigmasta-5,22,25-trien-3beta-ol
    • (22e,24s)-24-ethylcholesta-5,22,25-trien-3beta-ol
    • Stigmasta-5,22,25-trien-3-ol, (3|A,24S,22E)-
    • (3S,8S,9S,10R,13R,14S,17R)-17-[(1R,2E,4S)-4-ethyl-1,5-dimethyl-hexa-2,5-dienyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • 26315-07-1

  • Applications

    22-Dehydroclerosterol (CAS 26315-07-1) is primarily encountered as a steroidal intermediate and research chemical. In industrial and pharmaceutical contexts, it is often evaluated as a precursor or intermediate in the synthesis of steroidal compounds, including cholesterol-like scaffolds, and as a reference material for analytical method development of sterols and related lipids. In academic and laboratory settings, it serves as a model compound for lipid biochemistry studies and membrane-related research. It may also be used as a standard or calibration reference in chromatographic analyses (GC/LC) of sterols. Its use in consumer products is not typical and is subject to regulatory constraints; any application would be governed by local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 26.18
    methanol 5.09
    isopropanol 24.31
    water 0.03
    ethyl acetate 30.3
    n-propanol 31.43
    acetone 22.27
    n-butanol 43.96
    acetonitrile 2.71
    DMF 15.37
    toluene 78.38
    isobutanol 24.05
    1,4-dioxane 66.91
    methyl acetate 11.99
    THF 136.57
    2-butanone 29.45
    n-pentanol 20.85
    sec-butanol 15.31
    n-hexane 2.66
    ethylene glycol 0.43
    NMP 22.19
    cyclohexane 6.66
    DMSO 7.41
    n-butyl acetate 38.95
    n-octanol 14.39
    chloroform 79.67
    n-propyl acetate 20.0
    acetic acid 6.49
    dichloromethane 43.69
    cyclohexanone 53.73
    propylene glycol 1.33
    isopropyl acetate 40.85
    DMAc 31.81
    2-ethoxyethanol 25.36
    isopentanol 41.85
    n-heptane 4.22
    ethyl formate 6.95
    1,2-dichloroethane 28.63
    n-hexanol 31.62
    2-methoxyethanol 29.09
    isobutyl acetate 24.04
    tetrachloromethane 13.56
    n-pentyl acetate 40.0
    transcutol 210.97
    n-heptanol 23.53
    ethylbenzene 21.51
    MIBK 44.08
    2-propoxyethanol 71.09
    tert-butanol 20.04
    MTBE 35.9
    2-butoxyethanol 52.81
    propionic acid 6.3
    o-xylene 30.6
    formic acid 1.41
    diethyl ether 56.9
    m-xylene 49.28
    p-xylene 20.15
    chlorobenzene 36.22
    dimethyl carbonate 8.94
    n-octane 1.1
    formamide 2.22
    cyclopentanone 47.11
    2-pentanone 43.15
    anisole 41.7
    cyclopentyl methyl ether 62.82
    gamma-butyrolactone 29.68
    1-methoxy-2-propanol 41.32
    pyridine 54.35
    3-pentanone 28.41
    furfural 26.45
    n-dodecane 0.62
    diethylene glycol 16.74
    diisopropyl ether 19.38
    tert-amyl alcohol 12.91
    acetylacetone 41.43
    n-hexadecane 0.77
    acetophenone 29.92
    methyl propionate 22.51
    isopentyl acetate 54.24
    trichloroethylene 58.29
    n-nonanol 17.85
    cyclohexanol 24.28
    benzyl alcohol 22.8
    2-ethylhexanol 23.7
    isooctanol 22.35
    dipropyl ether 40.52
    1,2-dichlorobenzene 30.84
    ethyl lactate 9.43
    propylene carbonate 17.72
    n-methylformamide 4.42
    2-pentanol 24.96
    n-pentane 4.63
    1-propoxy-2-propanol 61.28
    1-methoxy-2-propyl acetate 76.79
    2-(2-methoxypropoxy) propanol 46.62
    mesitylene 26.08
    ε-caprolactone 45.67
    p-cymene 18.83
    epichlorohydrin 50.88
    1,1,1-trichloroethane 29.64
    2-aminoethanol 2.86
    morpholine-4-carbaldehyde 40.13
    sulfolane 25.04
    2,2,4-trimethylpentane 2.41
    2-methyltetrahydrofuran 59.04
    n-hexyl acetate 39.48
    isooctane 2.92
    2-(2-butoxyethoxy)ethanol 73.55
    sec-butyl acetate 23.97
    tert-butyl acetate 51.21
    decalin 3.34
    glycerin 2.93
    diglyme 123.85
    acrylic acid 3.77
    isopropyl myristate 17.9
    n-butyric acid 26.76
    acetyl acetate 20.44
    di(2-ethylhexyl) phthalate 20.13
    ethyl propionate 20.45
    nitromethane 7.86
    1,2-diethoxyethane 68.11
    benzonitrile 17.61
    trioctyl phosphate 13.17
    1-bromopropane 29.41
    gamma-valerolactone 75.96
    n-decanol 11.36
    triethyl phosphate 18.14
    4-methyl-2-pentanol 23.28
    propionitrile 9.49
    vinylene carbonate 17.33
    1,1,2-trichlorotrifluoroethane 23.52
    DMS 19.46
    cumene 14.68
    2-octanol 12.58
    2-hexanone 23.43
    octyl acetate 19.8
    limonene 21.69
    1,2-dimethoxyethane 50.87
    ethyl orthosilicate 23.29
    tributyl phosphate 13.13
    diacetone alcohol 38.69
    N,N-dimethylaniline 29.16
    acrylonitrile 6.62
    aniline 40.73
    1,3-propanediol 13.86
    bromobenzene 45.69
    dibromomethane 35.24
    1,1,2,2-tetrachloroethane 47.9
    2-methyl-cyclohexyl acetate 35.34
    tetrabutyl urea 20.06
    diisobutyl methanol 18.93
    2-phenylethanol 40.29
    styrene 22.65
    dioctyl adipate 25.63
    dimethyl sulfate 10.98
    ethyl butyrate 33.59
    methyl lactate 9.11
    butyl lactate 28.42
    diethyl carbonate 18.88
    propanediol butyl ether 26.71
    triethyl orthoformate 38.29
    p-tert-butyltoluene 18.86
    methyl 4-tert-butylbenzoate 47.24
    morpholine 72.86
    tert-butylamine 15.37
    n-dodecanol 7.21
    dimethoxymethane 48.95
    ethylene carbonate 17.34
    cyrene 30.18
    2-ethoxyethyl acetate 61.8
    2-ethylhexyl acetate 43.66
    1,2,4-trichlorobenzene 37.88
    4-methylpyridine 55.03
    dibutyl ether 21.46
    2,6-dimethyl-4-heptanol 18.93
    DEF 30.22
    dimethyl isosorbide 74.88
    tetrachloroethylene 33.12
    eugenol 43.8
    triacetin 38.16
    span 80 37.43
    1,4-butanediol 3.42
    1,1-dichloroethane 27.59
    2-methyl-1-pentanol 22.11
    methyl formate 3.16
    2-methyl-1-butanol 30.01
    n-decane 1.65
    butyronitrile 17.11
    3,7-dimethyl-1-octanol 19.57
    1-chlorooctane 8.59
    1-chlorotetradecane 2.52
    n-nonane 1.35
    undecane 0.94
    tert-butylcyclohexane 3.03
    cyclooctane 2.83
    cyclopentanol 14.68
    tetrahydropyran 90.88
    tert-amyl methyl ether 23.14
    2,5,8-trioxanonane 74.35
    1-hexene 9.38
    2-isopropoxyethanol 25.58
    2,2,2-trifluoroethanol 2.63
    methyl butyrate 20.74

    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