Teasterone

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  • Identifiers

    CAS number
    92751-21-8

    Molecular formula
    C28H48O4

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

    Safety labels

  • Odor profile

    Fragrance
    Woody 75.79%
    Amber 43.39%
    Sandalwood 41.43%
    Mint 41.28%
    Balsamic 38.85%
    Cooling 36.44%
    Cedar 35.8%
    Dry 34.07%
    Camphoreous 31.7%
    Herbal 30.75%

     

    Flavor
    Bitter 32.32%
    Herbal 29.85%
    Odorless 25.42%
    Minty 24.47%
    Herb 24.3%
    Fruity 23.43%
    Cedarleaf 23.0%
    Mild 21.48%
    Mentholic 21.37%
    Green tea 21.31%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.7

    pKa est.
    6.34 (neutral)

    Molecular weight
    448.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    84°C

    Flash point

    • 240.38 ˚C est.

  • Synonyms

    • Teasterone
    • O8HW7BJ06G
    • 92751-21-8
    • UNII-O8HW7BJ06G
    • DTXSID1041136
    • CHEBI:26863
    • 6-oxo-5alpha-campestan-3beta,22R,23R-triol
    • (22R,23R,24S)-3beta,22,23-trihydroxy-5alpha-ergostan-6-one
    • Ergostan-6-one, 3,22,23-trihydroxy-, (3SS,5a,22R,23R,24S)-
    • (3S,5S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
    • 6-oxo-campestan-3beta,22R,23R-triol
    • (3beta,5alpha,22R,23R,24S)-3,22,23-trihydroxyergostan-6-one
    • (22R,23R)-3beta,22,23-trihydroxy-5alpha-campestan-6-one
    • (3.BETA.,5.ALPHA.,22R,23R,24S)-3,22,23-TRIHYDROXYERGOSTAN-6-ONE
    • (3S,5S,8S,9S,10R,13S,14S,17R)-17-((2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-6-one
    • RefChem:187645
    • DTXCID9021136
    • SCHEMBL29794207
    • LMST01030121
    • Q27109923
    • 92751-21-8

  • Applications

    Teasterone (CAS 92751-21-8) is a brassinosteroid plant hormone primarily used in plant science research to study growth, development, and stress responses. In agricultural and biotech experiments, it serves as a tool to understand brassinosteroid signaling pathways and the role of BR in root and shoot growth, leaf expansion, and flowering. It also functions as an intermediate in the synthesis of related brassinosteroids. As an analytical reference material, it is used to calibrate and validate chromatographic and spectroscopic methods (LC-MS, GC, NMR). In controlled settings, it may be explored for effects on germination and early growth in plants under research conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 21.57
    methanol 20.88
    isopropanol 7.2
    water 0.15
    ethyl acetate 6.98
    n-propanol 12.92
    acetone 17.59
    n-butanol 7.55
    acetonitrile 2.34
    DMF 34.95
    toluene 6.35
    isobutanol 6.02
    1,4-dioxane 42.69
    methyl acetate 5.76
    THF 130.23
    2-butanone 9.73
    n-pentanol 6.84
    sec-butanol 2.5
    n-hexane 0.33
    ethylene glycol 2.54
    NMP 26.21
    cyclohexane 0.49
    DMSO 47.63
    n-butyl acetate 8.88
    n-octanol 6.31
    chloroform 14.47
    n-propyl acetate 6.25
    acetic acid 16.34
    dichloromethane 8.94
    cyclohexanone 21.05
    propylene glycol 3.43
    isopropyl acetate 7.85
    DMAc 32.07
    2-ethoxyethanol 26.38
    isopentanol 5.66
    n-heptane 0.41
    ethyl formate 5.11
    1,2-dichloroethane 6.14
    n-hexanol 9.59
    2-methoxyethanol 39.65
    isobutyl acetate 6.29
    tetrachloromethane 3.18
    n-pentyl acetate 14.35
    transcutol 66.33
    n-heptanol 10.6
    ethylbenzene 3.46
    MIBK 9.02
    2-propoxyethanol 51.62
    tert-butanol 5.0
    MTBE 4.15
    2-butoxyethanol 38.09
    propionic acid 6.69
    o-xylene 3.89
    formic acid 8.49
    diethyl ether 6.79
    m-xylene 5.3
    p-xylene 4.09
    chlorobenzene 6.57
    dimethyl carbonate 7.74
    n-octane 0.22
    formamide 10.58
    cyclopentanone 35.42
    2-pentanone 9.59
    anisole 10.28
    cyclopentyl methyl ether 16.41
    gamma-butyrolactone 29.96
    1-methoxy-2-propanol 29.8
    pyridine 22.11
    3-pentanone 6.59
    furfural 24.04
    n-dodecane 0.12
    diethylene glycol 30.56
    diisopropyl ether 2.2
    tert-amyl alcohol 2.38
    acetylacetone 18.46
    n-hexadecane 0.15
    acetophenone 11.56
    methyl propionate 8.16
    isopentyl acetate 10.49
    trichloroethylene 14.76
    n-nonanol 7.39
    cyclohexanol 4.52
    benzyl alcohol 11.85
    2-ethylhexanol 4.53
    isooctanol 7.92
    dipropyl ether 6.42
    1,2-dichlorobenzene 6.12
    ethyl lactate 6.17
    propylene carbonate 11.36
    n-methylformamide 13.78
    2-pentanol 2.74
    n-pentane 0.31
    1-propoxy-2-propanol 28.45
    1-methoxy-2-propyl acetate 23.2
    2-(2-methoxypropoxy) propanol 21.24
    mesitylene 3.02
    ε-caprolactone 17.94
    p-cymene 3.12
    epichlorohydrin 34.16
    1,1,1-trichloroethane 4.94
    2-aminoethanol 9.12
    morpholine-4-carbaldehyde 44.68
    sulfolane 36.81
    2,2,4-trimethylpentane 0.21
    2-methyltetrahydrofuran 16.59
    n-hexyl acetate 14.17
    isooctane 0.25
    2-(2-butoxyethoxy)ethanol 37.11
    sec-butyl acetate 4.6
    tert-butyl acetate 9.85
    decalin 0.45
    glycerin 8.46
    diglyme 58.94
    acrylic acid 7.72
    isopropyl myristate 4.22
    n-butyric acid 10.75
    acetyl acetate 8.55
    di(2-ethylhexyl) phthalate 7.96
    ethyl propionate 5.2
    nitromethane 17.02
    1,2-diethoxyethane 15.78
    benzonitrile 6.92
    trioctyl phosphate 5.66
    1-bromopropane 2.61
    gamma-valerolactone 60.49
    n-decanol 4.01
    triethyl phosphate 4.87
    4-methyl-2-pentanol 3.24
    propionitrile 3.22
    vinylene carbonate 12.95
    1,1,2-trichlorotrifluoroethane 23.4
    DMS 10.68
    cumene 2.68
    2-octanol 4.24
    2-hexanone 7.73
    octyl acetate 6.64
    limonene 3.13
    1,2-dimethoxyethane 32.99
    ethyl orthosilicate 5.14
    tributyl phosphate 4.48
    diacetone alcohol 13.43
    N,N-dimethylaniline 7.27
    acrylonitrile 4.65
    aniline 8.98
    1,3-propanediol 16.41
    bromobenzene 5.82
    dibromomethane 5.86
    1,1,2,2-tetrachloroethane 11.43
    2-methyl-cyclohexyl acetate 8.93
    tetrabutyl urea 6.9
    diisobutyl methanol 3.04
    2-phenylethanol 16.89
    styrene 3.51
    dioctyl adipate 8.19
    dimethyl sulfate 13.39
    ethyl butyrate 6.74
    methyl lactate 9.43
    butyl lactate 14.88
    diethyl carbonate 4.36
    propanediol butyl ether 24.25
    triethyl orthoformate 7.76
    p-tert-butyltoluene 3.11
    methyl 4-tert-butylbenzoate 19.1
    morpholine 44.33
    tert-butylamine 2.15
    n-dodecanol 2.14
    dimethoxymethane 44.59
    ethylene carbonate 10.86
    cyrene 21.59
    2-ethoxyethyl acetate 25.18
    2-ethylhexyl acetate 7.61
    1,2,4-trichlorobenzene 8.17
    4-methylpyridine 13.26
    dibutyl ether 3.81
    2,6-dimethyl-4-heptanol 3.04
    DEF 9.59
    dimethyl isosorbide 35.74
    tetrachloroethylene 10.48
    eugenol 21.02
    triacetin 16.93
    span 80 19.09
    1,4-butanediol 6.07
    1,1-dichloroethane 4.22
    2-methyl-1-pentanol 4.51
    methyl formate 9.89
    2-methyl-1-butanol 3.99
    n-decane 0.34
    butyronitrile 3.58
    3,7-dimethyl-1-octanol 4.86
    1-chlorooctane 1.77
    1-chlorotetradecane 0.47
    n-nonane 0.27
    undecane 0.19
    tert-butylcyclohexane 0.4
    cyclooctane 0.28
    cyclopentanol 6.61
    tetrahydropyran 18.35
    tert-amyl methyl ether 2.76
    2,5,8-trioxanonane 35.22
    1-hexene 1.22
    2-isopropoxyethanol 16.15
    2,2,2-trifluoroethanol 7.39
    methyl butyrate 6.54

    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