Brassinolide

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  • Identifiers

    CAS number
    72962-43-7

    Molecular formula
    C28H48O6

    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(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 57.02%
    Odorless 46.93%
    Cooling 40.54%
    Mint 40.35%
    Amber 33.06%
    Balsamic 31.44%
    Spicy 29.85%
    Sandalwood 28.32%
    Dry 27.77%
    Cedar 26.14%

     

    Flavor
    Bitter 42.49%
    Odorless 28.34%
    Herbal 23.51%
    Sweet-like 23.05%
    Cedarleaf 22.85%
    Minty 21.7%
    Mentholic 21.44%
    Bland 21.41%
    Green tea 21.01%
    Fatty 20.75%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    5.26 (weak acid)

    Molecular weight
    480.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    144°C

    Flash point

    • 234.44 ˚C est.

  • Synonyms

    • Brassinolide
    • 72962-43-7
    • Y9IQ1L53OX
    • 6H-Benz(c)indeno(5,4-e)oxepin-6-one, 1-((1S,2R,3R,4S)-2,3-dihydroxy-1,4,5-trimethylhexyl)hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-
    • DTXSID0039699
    • CHEBI:28277
    • B-Homo-7-oxaergostan-6-one, 2,3,22,23-tetrahydroxy-, (2alpha,3alpha,5alpha,22R,23R,24S)-
    • NSC-325306
    • 2alpha,3alpha,22R,23R-tetrahydroxy-6,7-seco-5-campestano-6,7-lactone
    • RefChem:121314
    • DTXCID8019699
    • Brassinolide >90%
    • MFCD00792745
    • Brassin lactone
    • 2alpha,3alpha,22alpha,23alpha-Tetrahydroxy-24alpha-methyl-B-homo-7-oxa-5alpha-cholestan-6-one
    • C28H48O6
    • (3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-10-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5,6-dihydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one
    • 3H-benz[c]indeno[5,4-e]oxepin-3-one, 10-[(1S,2R,3R,4S)-2,3-dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-5,6-dihydroxy-7a,9a-dimethyl-, (3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-
    • UNII-Y9IQ1L53OX
    • NSC 325306
    • NSC325306
    • BLD
    • a,12aalpha]]-
    • BRASSINOLIDE [MI]
    • SCHEMBL119753
    • IXVMHGVQKLDRKH-KNBKMWSGSA-N
    • HY-N0273
    • LMST01140001
    • MSK000975
    • s3882
    • AKOS030526175
    • CCG-269555
    • CS-1486
    • EBC-618407
    • FB74161
    • (1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
    • NS00122413
    • C08814
    • Q4957954
    • (22R,23R)-2alpha,3alpha,22,23-tetrahydroxy-6,7-seco-5alpha-campestano-6,7-lactone
    • (22R,23R)-2alpha,3alpha,22,23-tetrahydroxy-7a-homo-7-oxa-5alpha-campestan-6-one
    • (2alpha,3alpha,5alpha,22R,23R,24S)-2,3,22,23-Tetrahydroxy-B-homo-7-oxaergostan-6-one
    • [(1S,2R,3R,4S)-2,3-dihydroxy-1,4,5-trimethyl-hexyl]-dihydroxy-dimethyl-[?]one
    • 22R,23R,24R-2alpha,3alpha,22,23-Tetrahydroxy-B-homo-7-oxa-5alpha-ergostan-6-one
    • 2alpha,3alpha,22,23-tetrahydroxy-24-methyl-B-homo-7-oxa-5alpha-cholestan-6-one
    • (1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(1S,2R,3R,4S)-2,3-dihydroxy-1,4,5-trimethyl-hexyl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
    • (1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.0^{2,7}.0^{12,16}]octadecan-8-one
    • (2.ALPHA.,3.ALPHA.,5.ALPHA.,22R,23R,24S)-2,3,22,23-TETRAHYDROXY-B-HOMO-7-OXAERGOSTAN-6-ONE
    • 6H-BENZ(C)INDENO(5,4-E)OXEPIN-6-ONE, 1-(2,3-DIHYDROXY-1,4,5-TRIMETHYLHEXYL)HEXADECAHYDRO-8,9-DIHYDROXY-10A,12A-DIMETHYL-, (1R-(1.ALPHA.(1S*,2R*,3R*,4S*),3A.BETA.,3B.ALPHA.,6A.BETA.,8.BETA.,9.BETA.,10A.ALPHA.,10B.BETA.,12A.ALPHA.))-
    • 6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-(2,3-dihydroxy-1,4,5-trimethylhexyl)hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, [1R-[1alpha(1S*,2R*,3R*,4S*),3abeta,3balpha,6abeta,8beta,9beta,10aalpha,10bbet
    • 6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-[(1S,2R,3R,4S)-2,3-dihydroxy-1,4,5-trimethylhexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)- (9CI)
    • Brassin lactone; (3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-10-((2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl)-5,6-dihydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one
    • EpibrassinolideBrassin lactone; 2alpha,3alpha,22alpha,23alpha-Tetrahydroxy-24alpha-methyl-B-homo-7-oxa-5alpha-cholestan-6-one
    • 72962-43-7

  • Applications

    Brassinolide (CAS 72962-43-7) is a brassinosteroid plant growth regulator used to modulate growth in agriculture and horticulture. Real-world applications include improving germination, growth, and yield in field crops; promoting flowering and fruit set in ornamental and flowering crops; seed treatment to enhance germination rates and seedling vigor; supporting post-harvest quality and extending shelf life of cut flowers and fruits; and use in plant tissue culture to enhance shoot and root development during micropropagation.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 58.09
    methanol 176.32
    isopropanol 6.66
    water 1.07
    ethyl acetate 11.74
    n-propanol 15.75
    acetone 61.74
    n-butanol 5.41
    acetonitrile 3.53
    DMF 133.39
    toluene 6.88
    isobutanol 5.77
    1,4-dioxane 101.18
    methyl acetate 12.32
    THF 534.01
    2-butanone 18.34
    n-pentanol 8.78
    sec-butanol 3.08
    n-hexane 0.54
    ethylene glycol 20.22
    NMP 128.49
    cyclohexane 0.86
    DMSO 509.88
    n-butyl acetate 11.46
    n-octanol 7.57
    chloroform 10.99
    n-propyl acetate 9.85
    acetic acid 86.55
    dichloromethane 12.52
    cyclohexanone 42.29
    propylene glycol 13.81
    isopropyl acetate 10.46
    DMAc 91.6
    2-ethoxyethanol 67.35
    isopentanol 4.15
    n-heptane 0.61
    ethyl formate 13.54
    1,2-dichloroethane 10.02
    n-hexanol 11.09
    2-methoxyethanol 110.11
    isobutyl acetate 7.93
    tetrachloromethane 3.47
    n-pentyl acetate 16.83
    transcutol 94.09
    n-heptanol 11.65
    ethylbenzene 3.64
    MIBK 10.71
    2-propoxyethanol 79.64
    tert-butanol 4.58
    MTBE 4.64
    2-butoxyethanol 50.84
    propionic acid 18.1
    o-xylene 4.42
    formic acid 83.26
    diethyl ether 9.82
    m-xylene 5.03
    p-xylene 4.4
    chlorobenzene 6.91
    dimethyl carbonate 20.52
    n-octane 0.32
    formamide 72.91
    cyclopentanone 111.81
    2-pentanone 14.29
    anisole 11.9
    cyclopentyl methyl ether 34.72
    gamma-butyrolactone 117.59
    1-methoxy-2-propanol 45.09
    pyridine 39.04
    3-pentanone 10.71
    furfural 67.95
    n-dodecane 0.19
    diethylene glycol 76.26
    diisopropyl ether 2.53
    tert-amyl alcohol 2.8
    acetylacetone 39.57
    n-hexadecane 0.23
    acetophenone 16.49
    methyl propionate 15.44
    isopentyl acetate 11.28
    trichloroethylene 18.88
    n-nonanol 8.02
    cyclohexanol 5.54
    benzyl alcohol 16.59
    2-ethylhexanol 4.91
    isooctanol 8.41
    dipropyl ether 7.39
    1,2-dichlorobenzene 6.22
    ethyl lactate 11.73
    propylene carbonate 30.78
    n-methylformamide 60.44
    2-pentanol 2.43
    n-pentane 0.43
    1-propoxy-2-propanol 34.14
    1-methoxy-2-propyl acetate 29.63
    2-(2-methoxypropoxy) propanol 26.07
    mesitylene 3.04
    ε-caprolactone 39.06
    p-cymene 3.28
    epichlorohydrin 97.8
    1,1,1-trichloroethane 5.16
    2-aminoethanol 40.31
    morpholine-4-carbaldehyde 141.34
    sulfolane 170.87
    2,2,4-trimethylpentane 0.25
    2-methyltetrahydrofuran 48.28
    n-hexyl acetate 16.78
    isooctane 0.24
    2-(2-butoxyethoxy)ethanol 48.27
    sec-butyl acetate 6.29
    tert-butyl acetate 13.2
    decalin 0.62
    glycerin 37.77
    diglyme 83.45
    acrylic acid 28.59
    isopropyl myristate 4.87
    n-butyric acid 16.53
    acetyl acetate 15.65
    di(2-ethylhexyl) phthalate 10.93
    ethyl propionate 7.49
    nitromethane 71.16
    1,2-diethoxyethane 20.91
    benzonitrile 9.2
    trioctyl phosphate 7.78
    1-bromopropane 3.17
    gamma-valerolactone 170.13
    n-decanol 4.6
    triethyl phosphate 6.64
    4-methyl-2-pentanol 2.56
    propionitrile 3.56
    vinylene carbonate 31.44
    1,1,2-trichlorotrifluoroethane 61.38
    DMS 17.28
    cumene 2.72
    2-octanol 4.69
    2-hexanone 11.75
    octyl acetate 8.42
    limonene 4.03
    1,2-dimethoxyethane 69.04
    ethyl orthosilicate 6.33
    tributyl phosphate 5.87
    diacetone alcohol 19.47
    N,N-dimethylaniline 8.78
    acrylonitrile 6.9
    aniline 10.53
    1,3-propanediol 33.32
    bromobenzene 5.8
    dibromomethane 7.43
    1,1,2,2-tetrachloroethane 13.15
    2-methyl-cyclohexyl acetate 11.93
    tetrabutyl urea 9.72
    diisobutyl methanol 2.7
    2-phenylethanol 20.41
    styrene 3.85
    dioctyl adipate 11.02
    dimethyl sulfate 43.93
    ethyl butyrate 8.26
    methyl lactate 22.39
    butyl lactate 18.81
    diethyl carbonate 5.72
    propanediol butyl ether 38.24
    triethyl orthoformate 8.68
    p-tert-butyltoluene 3.18
    methyl 4-tert-butylbenzoate 25.51
    morpholine 104.94
    tert-butylamine 1.74
    n-dodecanol 2.63
    dimethoxymethane 111.45
    ethylene carbonate 24.29
    cyrene 45.79
    2-ethoxyethyl acetate 35.07
    2-ethylhexyl acetate 8.59
    1,2,4-trichlorobenzene 9.39
    4-methylpyridine 19.98
    dibutyl ether 4.04
    2,6-dimethyl-4-heptanol 2.7
    DEF 19.52
    dimethyl isosorbide 52.35
    tetrachloroethylene 14.27
    eugenol 27.92
    triacetin 24.23
    span 80 27.31
    1,4-butanediol 17.41
    1,1-dichloroethane 4.4
    2-methyl-1-pentanol 5.31
    methyl formate 53.68
    2-methyl-1-butanol 3.59
    n-decane 0.45
    butyronitrile 3.33
    3,7-dimethyl-1-octanol 4.9
    1-chlorooctane 2.18
    1-chlorotetradecane 0.7
    n-nonane 0.38
    undecane 0.28
    tert-butylcyclohexane 0.44
    cyclooctane 0.45
    cyclopentanol 14.36
    tetrahydropyran 36.18
    tert-amyl methyl ether 3.84
    2,5,8-trioxanonane 52.14
    1-hexene 1.76
    2-isopropoxyethanol 29.64
    2,2,2-trifluoroethanol 28.28
    methyl butyrate 10.06

    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