22,23-Dihydrobrassicasterol

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  • Identifiers

    CAS number
    4651-51-8

    Molecular formula
    C28H48O

    SMILES
    C[C@H](CC[C@H](C)C(C)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

    Safety labels

  • Odor profile

    Fragrance
    Woody 83.21%
    Sandalwood 55.51%
    Amber 44.35%
    Balsamic 43.43%
    Dry 40.11%
    Waxy 39.49%
    Sweet 35.54%
    Vetiver 35.39%
    Spicy 34.96%
    Cedar 32.7%

     

    Flavor
    Woody 40.37%
    Wood 34.73%
    Herb 33.28%
    Spice 30.24%
    Waxy 26.52%
    Herbal 26.25%
    Fir needle 23.32%
    Pine 22.97%
    Sandalwood 21.6%
    Terpentine 21.51%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.8

    pKa est.
    8.05 (weak base)

    Molecular weight
    400.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    467°C

    Melting point expt.

    • 157 - 158 °C

    Flash point

    • 214.98 ˚C est.

  • Synonyms

    • 22,23-Dihydrobrassicasterol
    • RefChem:910315
    • 4651-51-8
    • Ergost-5-en-3beta-ol
    • 24-epicampesterol
    • 22-Dihydrobrassicasterol
    • Dihydrobrassicasterol
    • (S)-Campesterol
    • (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • (3S,8S,9S,10R,13R,14S,17R)-17-((2R,5S)-5,6-Dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • Ergost-5-en-3-beta-ol
    • (24S)-beta-Methyl cholesterol
    • delta22-Dihydrobrassicasterol
    • 24alpha-Methyl-5-cholesten-3beta-ol
    • Ergost-5-en-3-ol, (3beta)-
    • Delta5-campesterol
    • Campesterol; (3S,8S,9S,10R,13R,14S,17R)-17-((2R,5R)-5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
    • Campesterol, ~65%
    • 22-Dihydrobrassicosterol
    • CHEMBL485421
    • orb1941251
    • SCHEMBL3341194
    • CHEBI:19809
    • HY-N1459A
    • 24(R)-Ergost-5-en-3beta-ol
    • 24-methyl-5-cholestene-3beta-ol
    • DTXSID501016075
    • LMST01030096
    • (24S)-methylcholest-5-en-3beta-ol
    • AKOS030531948
    • DA-69261
    • FD159340
    • CS-0135141
    • NS00099793
    • G13232
    • Q27109255
    • 4651-51-8

  • Applications

    Chemical name: 22,23-Dihydrobrassicasterol; CAS number: 4651-51-8. 22,23-Dihydrobrassicasterol is primarily used as a building block in the synthesis of sterol and steroid derivatives, serving as an intermediate in pharmaceutical and cosmetic ingredient development. It is also encountered as a lipid-like component in research and formulation work for cosmetics and personal care, where it can function as an emollient or conditioning lipid. In polymer and coating formulations, it may be evaluated as a nonpolar additive or stabilizing component to tune compatibility and performance. Additionally, it is used as a reference standard or analytical material in sterol analysis and quality control of plant-derived sterols. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.38
    methanol 3.33
    isopropanol 21.89
    water 0.04
    ethyl acetate 46.51
    n-propanol 28.18
    acetone 38.83
    n-butanol 40.0
    acetonitrile 4.55
    DMF 21.66
    toluene 100.29
    isobutanol 24.15
    1,4-dioxane 106.46
    methyl acetate 21.3
    THF 182.3
    2-butanone 45.05
    n-pentanol 22.12
    sec-butanol 15.41
    n-hexane 6.39
    ethylene glycol 0.52
    NMP 34.25
    cyclohexane 14.71
    DMSO 10.49
    n-butyl acetate 65.08
    n-octanol 21.85
    chloroform 106.27
    n-propyl acetate 34.43
    acetic acid 7.86
    dichloromethane 58.36
    cyclohexanone 82.31
    propylene glycol 1.48
    isopropyl acetate 64.21
    DMAc 46.61
    2-ethoxyethanol 28.85
    isopentanol 42.59
    n-heptane 10.22
    ethyl formate 9.97
    1,2-dichloroethane 43.17
    n-hexanol 40.32
    2-methoxyethanol 28.51
    isobutyl acetate 42.17
    tetrachloromethane 22.83
    n-pentyl acetate 65.95
    transcutol 248.6
    n-heptanol 32.39
    ethylbenzene 35.91
    MIBK 64.22
    2-propoxyethanol 83.2
    tert-butanol 23.11
    MTBE 58.37
    2-butoxyethanol 68.13
    propionic acid 8.83
    o-xylene 48.48
    formic acid 1.44
    diethyl ether 85.99
    m-xylene 71.17
    p-xylene 37.28
    chlorobenzene 53.1
    dimethyl carbonate 14.73
    n-octane 2.84
    formamide 2.48
    cyclopentanone 75.08
    2-pentanone 62.07
    anisole 62.23
    cyclopentyl methyl ether 91.77
    gamma-butyrolactone 47.17
    1-methoxy-2-propanol 41.26
    pyridine 71.82
    3-pentanone 47.25
    furfural 36.74
    n-dodecane 1.49
    diethylene glycol 19.94
    diisopropyl ether 37.56
    tert-amyl alcohol 16.44
    acetylacetone 67.66
    n-hexadecane 1.87
    acetophenone 46.8
    methyl propionate 34.26
    isopentyl acetate 86.1
    trichloroethylene 80.26
    n-nonanol 27.15
    cyclohexanol 29.83
    benzyl alcohol 28.22
    2-ethylhexanol 34.87
    isooctanol 33.08
    dipropyl ether 74.43
    1,2-dichlorobenzene 48.97
    ethyl lactate 14.41
    propylene carbonate 30.24
    n-methylformamide 5.65
    2-pentanol 27.14
    n-pentane 9.36
    1-propoxy-2-propanol 78.76
    1-methoxy-2-propyl acetate 109.9
    2-(2-methoxypropoxy) propanol 64.99
    mesitylene 44.8
    ε-caprolactone 73.54
    p-cymene 33.89
    epichlorohydrin 70.38
    1,1,1-trichloroethane 52.7
    2-aminoethanol 2.8
    morpholine-4-carbaldehyde 60.74
    sulfolane 40.0
    2,2,4-trimethylpentane 5.01
    2-methyltetrahydrofuran 85.94
    n-hexyl acetate 66.31
    isooctane 6.08
    2-(2-butoxyethoxy)ethanol 94.22
    sec-butyl acetate 39.89
    tert-butyl acetate 82.85
    decalin 7.8
    glycerin 3.32
    diglyme 172.33
    acrylic acid 5.34
    isopropyl myristate 31.75
    n-butyric acid 33.2
    acetyl acetate 36.04
    di(2-ethylhexyl) phthalate 29.42
    ethyl propionate 35.69
    nitromethane 12.34
    1,2-diethoxyethane 104.63
    benzonitrile 25.97
    trioctyl phosphate 20.91
    1-bromopropane 42.87
    gamma-valerolactone 111.48
    n-decanol 17.9
    triethyl phosphate 30.99
    4-methyl-2-pentanol 29.68
    propionitrile 12.8
    vinylene carbonate 27.68
    1,1,2-trichlorotrifluoroethane 30.64
    DMS 37.36
    cumene 26.2
    2-octanol 19.75
    2-hexanone 37.43
    octyl acetate 33.94
    limonene 38.07
    1,2-dimethoxyethane 69.56
    ethyl orthosilicate 38.77
    tributyl phosphate 21.72
    diacetone alcohol 52.62
    N,N-dimethylaniline 44.18
    acrylonitrile 9.11
    aniline 51.53
    1,3-propanediol 13.16
    bromobenzene 68.02
    dibromomethane 49.53
    1,1,2,2-tetrachloroethane 69.34
    2-methyl-cyclohexyl acetate 57.48
    tetrabutyl urea 30.59
    diisobutyl methanol 30.45
    2-phenylethanol 51.13
    styrene 36.56
    dioctyl adipate 41.82
    dimethyl sulfate 18.19
    ethyl butyrate 57.5
    methyl lactate 12.09
    butyl lactate 42.58
    diethyl carbonate 33.78
    propanediol butyl ether 34.02
    triethyl orthoformate 62.07
    p-tert-butyltoluene 33.69
    methyl 4-tert-butylbenzoate 71.33
    morpholine 96.34
    tert-butylamine 20.22
    n-dodecanol 12.18
    dimethoxymethane 64.34
    ethylene carbonate 27.93
    cyrene 39.8
    2-ethoxyethyl acetate 95.49
    2-ethylhexyl acetate 72.78
    1,2,4-trichlorobenzene 58.77
    4-methylpyridine 74.6
    dibutyl ether 40.23
    2,6-dimethyl-4-heptanol 30.45
    DEF 44.93
    dimethyl isosorbide 106.55
    tetrachloroethylene 48.11
    eugenol 60.46
    triacetin 65.51
    span 80 51.52
    1,4-butanediol 3.77
    1,1-dichloroethane 43.54
    2-methyl-1-pentanol 25.54
    methyl formate 4.29
    2-methyl-1-butanol 31.9
    n-decane 3.99
    butyronitrile 22.08
    3,7-dimethyl-1-octanol 30.55
    1-chlorooctane 16.87
    1-chlorotetradecane 5.31
    n-nonane 3.32
    undecane 2.26
    tert-butylcyclohexane 6.98
    cyclooctane 6.84
    cyclopentanol 19.23
    tetrahydropyran 128.73
    tert-amyl methyl ether 37.52
    2,5,8-trioxanonane 101.52
    1-hexene 17.35
    2-isopropoxyethanol 31.76
    2,2,2-trifluoroethanol 4.37
    methyl butyrate 34.86

    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