7-Oxotyphasterol

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  • Identifiers

    CAS number
    144071-55-6

    Molecular formula
    C28H48O5

    SMILES
    C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=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 66.6%
    Mint 41.97%
    Amber 39.38%
    Cooling 38.4%
    Balsamic 37.63%
    Odorless 36.39%
    Sandalwood 35.89%
    Dry 31.52%
    Cedar 31.02%
    Herbal 30.12%

     

    Flavor
    Bitter 32.65%
    Herbal 27.95%
    Odorless 25.91%
    Minty 23.86%
    Cedarleaf 22.85%
    Fruity 22.18%
    Herb 21.88%
    Sweet-like 21.68%
    Mentholic 21.49%
    Mild 21.36%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.8

    pKa est.
    5.58 (weak acid)

    Molecular weight
    464.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    108°C

    Flash point

    • 225.23 ˚C est.

  • Synonyms

    • 7-oxotyphasterol
    • 3alpha,22R,23R-trihydroxy-6,7-seco-5alpha-campestano-6,7-lactone
    • 144071-55-6
    • CHEBI:185407
    • DTXSID301099514
    • LMST01140003
    • (1R,3aS,3bS,6aS,8R,10aR,10bS,12aS)-1-[(1S,2R,3R,4S)-2,3-Dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8-hydroxy-10a,12a-dimethyl-6H-benz[c]indeno[5,4-e]oxepin-6-one
    • (1S,2R,5R,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5-hydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0(2,7).0(12,16)]octadecan-8-one
    • (3aS,5R,7aR,7bS,9aS,10R,12aS,12bS)-10-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5-hydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one
    • 144071-55-6

  • Applications

    7-Oxotyphasterol (CAS 144071-55-6) is primarily used as an intermediate in the synthesis of brassinosteroids and related derivatives for agricultural research and development, supporting the development of plant growth–promoting formulations and traits such as stress tolerance and nutrient use efficiency. It also serves as a reference standard or research reagent in analytical work and in studies of brassinosteroid biosynthesis. In industrial-scale chemical synthesis, it can function as a precursor or steroid scaffold for specialized routes and is commonly evaluated in early‑stage development of steroidal materials, with usage subject to regulatory and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 73.73
    methanol 108.32
    isopropanol 15.97
    water 0.64
    ethyl acetate 21.8
    n-propanol 35.31
    acetone 74.47
    n-butanol 14.86
    acetonitrile 7.08
    DMF 131.55
    toluene 16.58
    isobutanol 15.1
    1,4-dioxane 127.84
    methyl acetate 22.32
    THF 593.86
    2-butanone 35.59
    n-pentanol 20.94
    sec-butanol 7.34
    n-hexane 1.0
    ethylene glycol 12.62
    NMP 123.04
    cyclohexane 1.85
    DMSO 373.49
    n-butyl acetate 23.59
    n-octanol 13.73
    chloroform 29.09
    n-propyl acetate 19.77
    acetic acid 78.36
    dichloromethane 26.74
    cyclohexanone 74.53
    propylene glycol 12.17
    isopropyl acetate 20.58
    DMAc 106.78
    2-ethoxyethanol 80.62
    isopentanol 11.13
    n-heptane 1.08
    ethyl formate 20.57
    1,2-dichloroethane 21.53
    n-hexanol 25.27
    2-methoxyethanol 111.92
    isobutyl acetate 17.28
    tetrachloromethane 7.99
    n-pentyl acetate 31.03
    transcutol 125.56
    n-heptanol 22.35
    ethylbenzene 8.1
    MIBK 21.48
    2-propoxyethanol 105.55
    tert-butanol 10.74
    MTBE 10.09
    2-butoxyethanol 70.91
    propionic acid 27.29
    o-xylene 9.85
    formic acid 48.4
    diethyl ether 18.98
    m-xylene 11.4
    p-xylene 10.17
    chlorobenzene 18.23
    dimethyl carbonate 26.07
    n-octane 0.54
    formamide 52.01
    cyclopentanone 153.34
    2-pentanone 28.37
    anisole 23.39
    cyclopentyl methyl ether 53.59
    gamma-butyrolactone 139.16
    1-methoxy-2-propanol 62.25
    pyridine 68.04
    3-pentanone 21.75
    furfural 84.22
    n-dodecane 0.37
    diethylene glycol 76.37
    diisopropyl ether 5.16
    tert-amyl alcohol 6.19
    acetylacetone 52.75
    n-hexadecane 0.44
    acetophenone 29.63
    methyl propionate 25.93
    isopentyl acetate 24.9
    trichloroethylene 37.65
    n-nonanol 15.32
    cyclohexanol 12.43
    benzyl alcohol 29.16
    2-ethylhexanol 11.52
    isooctanol 17.09
    dipropyl ether 13.73
    1,2-dichlorobenzene 15.53
    ethyl lactate 18.27
    propylene carbonate 44.54
    n-methylformamide 60.27
    2-pentanol 5.84
    n-pentane 0.86
    1-propoxy-2-propanol 51.54
    1-methoxy-2-propyl acetate 45.41
    2-(2-methoxypropoxy) propanol 38.29
    mesitylene 6.71
    ε-caprolactone 63.91
    p-cymene 7.04
    epichlorohydrin 127.96
    1,1,1-trichloroethane 13.43
    2-aminoethanol 37.42
    morpholine-4-carbaldehyde 134.3
    sulfolane 168.46
    2,2,4-trimethylpentane 0.55
    2-methyltetrahydrofuran 78.89
    n-hexyl acetate 31.02
    isooctane 0.54
    2-(2-butoxyethoxy)ethanol 66.91
    sec-butyl acetate 13.86
    tert-butyl acetate 24.25
    decalin 1.38
    glycerin 28.64
    diglyme 109.18
    acrylic acid 33.24
    isopropyl myristate 10.24
    n-butyric acid 32.69
    acetyl acetate 25.25
    di(2-ethylhexyl) phthalate 19.5
    ethyl propionate 15.64
    nitromethane 69.81
    1,2-diethoxyethane 33.47
    benzonitrile 19.98
    trioctyl phosphate 14.37
    1-bromopropane 8.13
    gamma-valerolactone 194.14
    n-decanol 9.31
    triethyl phosphate 12.45
    4-methyl-2-pentanol 6.3
    propionitrile 9.0
    vinylene carbonate 45.58
    1,1,2-trichlorotrifluoroethane 67.54
    DMS 26.46
    cumene 6.13
    2-octanol 9.43
    2-hexanone 24.15
    octyl acetate 16.45
    limonene 8.06
    1,2-dimethoxyethane 89.38
    ethyl orthosilicate 12.19
    tributyl phosphate 11.88
    diacetone alcohol 30.71
    N,N-dimethylaniline 16.11
    acrylonitrile 13.81
    aniline 22.76
    1,3-propanediol 44.91
    bromobenzene 16.03
    dibromomethane 17.22
    1,1,2,2-tetrachloroethane 28.8
    2-methyl-cyclohexyl acetate 23.6
    tetrabutyl urea 18.3
    diisobutyl methanol 5.82
    2-phenylethanol 37.69
    styrene 9.0
    dioctyl adipate 20.11
    dimethyl sulfate 46.71
    ethyl butyrate 17.41
    methyl lactate 27.29
    butyl lactate 30.18
    diethyl carbonate 12.04
    propanediol butyl ether 46.58
    triethyl orthoformate 16.93
    p-tert-butyltoluene 6.56
    methyl 4-tert-butylbenzoate 39.59
    morpholine 138.52
    tert-butylamine 4.31
    n-dodecanol 5.44
    dimethoxymethane 121.15
    ethylene carbonate 38.22
    cyrene 55.84
    2-ethoxyethyl acetate 51.02
    2-ethylhexyl acetate 19.01
    1,2,4-trichlorobenzene 20.96
    4-methylpyridine 40.46
    dibutyl ether 7.94
    2,6-dimethyl-4-heptanol 5.82
    DEF 30.42
    dimethyl isosorbide 71.51
    tetrachloroethylene 26.98
    eugenol 42.48
    triacetin 36.28
    span 80 39.15
    1,4-butanediol 23.11
    1,1-dichloroethane 11.89
    2-methyl-1-pentanol 13.37
    methyl formate 47.02
    2-methyl-1-butanol 9.61
    n-decane 0.85
    butyronitrile 9.21
    3,7-dimethyl-1-octanol 10.07
    1-chlorooctane 4.43
    1-chlorotetradecane 1.47
    n-nonane 0.67
    undecane 0.53
    tert-butylcyclohexane 0.99
    cyclooctane 0.88
    cyclopentanol 27.27
    tetrahydropyran 70.28
    tert-amyl methyl ether 7.45
    2,5,8-trioxanonane 67.64
    1-hexene 3.91
    2-isopropoxyethanol 43.47
    2,2,2-trifluoroethanol 29.52
    methyl butyrate 20.18

    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