Cyclobrassinone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    156953-82-1

    Molecular formula
    C11H8N2O2S

    SMILES
    COC1=NC(=O)C2=C(S1)NC3=CC=CC=C32

    Safety labels

  • Odor profile

    Fragrance
    Burnt 32.01%
    Floral 28.86%
    Animal 28.73%
    Meaty 27.79%
    Nutty 27.53%
    Sulfurous 27.24%
    Fruity 27.12%
    Phenolic 26.55%
    Roasted 26.34%
    Bitter 26.25%

     

    Flavor
    Bitter 92.26%
    Odorless 24.51%
    Very strong 20.2%
    Indole 19.77%
    Bread crust 19.58%
    Nitrile 19.47%
    Cedarleaf 19.44%
    Cereal 19.17%
    Sweet-like 18.88%
    Moth ball 18.79%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.15 (neutral)

    Molecular weight
    232.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    543°C

    Flash point

    • 224.03 ˚C est.

  • Synonyms

    • Cyclobrassinone
    • 156953-82-1
    • 2-methoxy-9H-[1,3]thiazino[6,5-b]indol-4-one
    • 1,3-Thiazino[6,5-b]indol-4(9H)-one, 2-methoxy-
    • 2-Methoxy-[1,3]thiazino[6,5-b]indol-4(9H)-one
    • NSC722428
    • Z9JNK9P8SW
    • DTXSID30328062
    • CHEBI:174186
    • 2-METHOXY-4H,9H-[1,3]THIAZINO[6,5-B]INDOL-4-ONE
    • NSC-722428
    • 2-Methoxy-1,3-thiazino[6,5-b]indol-4(9H)-one
    • 2-Methoxy[1,3]thiazino[6,5-b]indol-4(9H)-one
    • 156953-82-1

  • Applications

    Cyclobrassinone (CAS 156953-82-1) is a brassinosteroid-related compound primarily studied as a plant growth regulator in agriculture and horticulture. In crop science, it is evaluated for effects on plant development and growth, with potential for use in growth-regulating formulations. In research and development, it serves as a useful tool to understand brassinosteroid signaling and as a precursor for the synthesis of brassinosteroid derivatives. In the chemical and agrochemical industries, it is commonly used as an intermediate or starting material in the synthesis of brassinosteroid-related actives and analogs for the development of growth-regulating products.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1.18
    methanol 1.17
    isopropanol 0.82
    water 0.01
    ethyl acetate 5.12
    n-propanol 1.04
    acetone 5.63
    n-butanol 1.3
    acetonitrile 1.25
    DMF 71.11
    toluene 0.46
    isobutanol 1.09
    1,4-dioxane 5.92
    methyl acetate 5.98
    THF 27.4
    2-butanone 7.42
    n-pentanol 1.17
    sec-butanol 0.98
    n-hexane 0.01
    ethylene glycol 1.63
    NMP 83.24
    cyclohexane 0.02
    DMSO 46.31
    n-butyl acetate 7.33
    n-octanol 0.88
    chloroform 2.94
    n-propyl acetate 5.75
    acetic acid 4.15
    dichloromethane 3.21
    cyclohexanone 15.94
    propylene glycol 1.54
    isopropyl acetate 4.17
    DMAc 84.45
    2-ethoxyethanol 8.3
    isopentanol 2.13
    n-heptane 0.03
    ethyl formate 4.95
    1,2-dichloroethane 3.42
    n-hexanol 1.99
    2-methoxyethanol 20.82
    isobutyl acetate 4.62
    tetrachloromethane 0.37
    n-pentyl acetate 4.83
    transcutol 18.92
    n-heptanol 1.58
    ethylbenzene 0.56
    MIBK 5.51
    2-propoxyethanol 16.87
    tert-butanol 1.79
    MTBE 1.14
    2-butoxyethanol 9.18
    propionic acid 3.44
    o-xylene 0.67
    formic acid 4.14
    diethyl ether 0.62
    m-xylene 0.62
    p-xylene 1.0
    chlorobenzene 1.86
    dimethyl carbonate 10.2
    n-octane 0.02
    formamide 9.5
    cyclopentanone 30.83
    2-pentanone 6.48
    anisole 3.38
    cyclopentyl methyl ether 5.02
    gamma-butyrolactone 35.84
    1-methoxy-2-propanol 14.07
    pyridine 7.04
    3-pentanone 4.46
    furfural 34.72
    n-dodecane 0.04
    diethylene glycol 18.38
    diisopropyl ether 0.37
    tert-amyl alcohol 2.06
    acetylacetone 13.68
    n-hexadecane 0.05
    acetophenone 8.43
    methyl propionate 8.05
    isopentyl acetate 8.36
    trichloroethylene 11.41
    n-nonanol 1.15
    cyclohexanol 1.78
    benzyl alcohol 4.79
    2-ethylhexanol 2.06
    isooctanol 1.73
    dipropyl ether 1.44
    1,2-dichlorobenzene 3.11
    ethyl lactate 7.79
    propylene carbonate 17.85
    n-methylformamide 12.79
    2-pentanol 0.79
    n-pentane 0.01
    1-propoxy-2-propanol 11.58
    1-methoxy-2-propyl acetate 14.97
    2-(2-methoxypropoxy) propanol 12.96
    mesitylene 0.47
    ε-caprolactone 15.71
    p-cymene 1.23
    epichlorohydrin 32.49
    1,1,1-trichloroethane 2.2
    2-aminoethanol 2.63
    morpholine-4-carbaldehyde 52.96
    sulfolane 59.33
    2,2,4-trimethylpentane 0.04
    2-methyltetrahydrofuran 8.81
    n-hexyl acetate 4.59
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 12.36
    sec-butyl acetate 4.09
    tert-butyl acetate 5.55
    decalin 0.07
    glycerin 8.4
    diglyme 23.12
    acrylic acid 5.39
    isopropyl myristate 2.38
    n-butyric acid 5.83
    acetyl acetate 4.7
    di(2-ethylhexyl) phthalate 5.61
    ethyl propionate 6.19
    nitromethane 16.87
    1,2-diethoxyethane 4.62
    benzonitrile 5.68
    trioctyl phosphate 3.53
    1-bromopropane 0.77
    gamma-valerolactone 46.92
    n-decanol 0.96
    triethyl phosphate 6.44
    4-methyl-2-pentanol 1.13
    propionitrile 1.86
    vinylene carbonate 15.66
    1,1,2-trichlorotrifluoroethane 31.54
    DMS 9.97
    cumene 0.62
    2-octanol 0.9
    2-hexanone 5.76
    octyl acetate 3.37
    limonene 1.44
    1,2-dimethoxyethane 17.6
    ethyl orthosilicate 5.02
    tributyl phosphate 4.25
    diacetone alcohol 13.42
    N,N-dimethylaniline 3.47
    acrylonitrile 4.61
    aniline 2.68
    1,3-propanediol 5.17
    bromobenzene 1.41
    dibromomethane 1.37
    1,1,2,2-tetrachloroethane 8.97
    2-methyl-cyclohexyl acetate 7.12
    tetrabutyl urea 7.04
    diisobutyl methanol 1.42
    2-phenylethanol 7.01
    styrene 0.63
    dioctyl adipate 5.05
    dimethyl sulfate 30.34
    ethyl butyrate 5.88
    methyl lactate 13.6
    butyl lactate 7.59
    diethyl carbonate 5.39
    propanediol butyl ether 7.19
    triethyl orthoformate 5.47
    p-tert-butyltoluene 1.08
    methyl 4-tert-butylbenzoate 10.14
    morpholine 10.67
    tert-butylamine 0.59
    n-dodecanol 0.77
    dimethoxymethane 19.13
    ethylene carbonate 11.27
    cyrene 20.81
    2-ethoxyethyl acetate 9.53
    2-ethylhexyl acetate 6.4
    1,2,4-trichlorobenzene 5.61
    4-methylpyridine 7.11
    dibutyl ether 0.96
    2,6-dimethyl-4-heptanol 1.42
    DEF 14.93
    dimethyl isosorbide 26.19
    tetrachloroethylene 4.64
    eugenol 13.13
    triacetin 8.78
    span 80 8.39
    1,4-butanediol 1.82
    1,1-dichloroethane 1.58
    2-methyl-1-pentanol 2.05
    methyl formate 11.06
    2-methyl-1-butanol 1.83
    n-decane 0.05
    butyronitrile 2.22
    3,7-dimethyl-1-octanol 1.53
    1-chlorooctane 0.36
    1-chlorotetradecane 0.26
    n-nonane 0.03
    undecane 0.05
    tert-butylcyclohexane 0.07
    cyclooctane 0.01
    cyclopentanol 3.48
    tetrahydropyran 2.61
    tert-amyl methyl ether 1.63
    2,5,8-trioxanonane 18.93
    1-hexene 0.12
    2-isopropoxyethanol 6.3
    2,2,2-trifluoroethanol 4.93
    methyl butyrate 8.96

    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