Momilactone B

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  • Identifiers

    CAS number
    51415-08-8

    Molecular formula
    C20H26O4

    SMILES
    C[C@]1(CC[C@@H]2C(=CC3[C@@H]4[C@]25CCC([C@@]4(C(=O)O3)C)(OC5)O)C1)C=C

    Safety labels

  • Odor profile

    Fragrance
    Woody 54.56%
    Spicy 47.8%
    Green 35.81%
    Sweet 31.13%
    Fresh 27.11%
    Herbal 26.1%
    Amber 25.94%
    Balsamic 25.63%
    Cedar 22.79%
    Coconut 22.47%

     

    Flavor
    Bitter 80.48%
    Cedarleaf 22.96%
    Fatty 22.78%
    Ripe apricot 20.9%
    Lovage 20.5%
    Red fruit 20.25%
    Parsley 19.92%
    Soil 19.36%
    Sweet-like 19.35%
    Beet 19.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    7.61 (neutral)

    Molecular weight
    330.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    534°C

    Flash point

    • 197.89 ˚C est.

  • Synonyms

    • Momilactone B
    • 51415-08-8
    • DTXSID30965734
    • RefChem:926044
    • DTXCID701393396
    • 5-ethenyl-13-hydroxy-5,12-dimethyl-10,14-dioxapentacyclo(11.2.2.11,9.02,7.012,18)octadec-7-en-11-one
    • Momilacton B
    • (1S,2R,5R,12R,18R)-5-Ethenyl-13-hydroxy-5,12-dimethyl-10,14-dioxapentacyclo[11.2.2.11,9.02,7.012,18]octadec-7-en-11-one
    • 4H-3,10b-Ethano-1H,3H-benzo(f)furo(4,3,2-de)-2-benzopyran-4-one, 8-ethenyl-3a,5a,7,8,9,10,10a,10c-octahydro-3a,8-dimethyl-, (3S-(3alpha,3abeta,5abeta,8alpha,10aalpha,10bbeta,10cbeta))-
    • SCHEMBL31151041
    • CHEBI:169709
    • Q4392808
    • (3aR,8R,10aR,10bS,10cR)-8-Ethenyl-3-hydroxy-3a,8-dimethyl-2,3,3a,5a,7,8,9,10,10a,10c-decahydro-1H,4H-3,10b-(epoxymethano)phenanthro[10,1-bc]furan-4-one
    • 51415-08-8

  • Applications

    Momilactone B (CAS 51415-08-8) is a diterpenoid phytoalexin produced naturally in rice and related plants, with applications centered on agriculture and plant biology research: its antifungal and antibacterial activity informs crop protection strategies and allelopathic interactions; it is often evaluated as a lead scaffold for the development of agrochemicals and biopesticide research; it serves as a biochemical tool to study plant defense signaling pathways; and it is used in natural product discovery research as a reference compound for bioactive diterpenoids in industrial chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 19.84
    methanol 40.32
    isopropanol 40.3
    water 0.11
    ethyl acetate 68.0
    n-propanol 38.73
    acetone 99.67
    n-butanol 48.4
    acetonitrile 54.1
    DMF 331.34
    toluene 83.29
    isobutanol 32.22
    1,4-dioxane 140.26
    methyl acetate 57.08
    THF 338.98
    2-butanone 87.08
    n-pentanol 18.52
    sec-butanol 18.51
    n-hexane 0.41
    ethylene glycol 11.83
    NMP 192.58
    cyclohexane 2.19
    DMSO 153.23
    n-butyl acetate 40.47
    n-octanol 7.82
    chloroform 336.63
    n-propyl acetate 36.5
    acetic acid 84.25
    dichloromethane 187.48
    cyclohexanone 163.65
    propylene glycol 14.84
    isopropyl acetate 59.17
    DMAc 180.45
    2-ethoxyethanol 51.35
    isopentanol 44.28
    n-heptane 0.44
    ethyl formate 46.37
    1,2-dichloroethane 100.16
    n-hexanol 26.41
    2-methoxyethanol 148.99
    isobutyl acetate 31.24
    tetrachloromethane 20.35
    n-pentyl acetate 32.39
    transcutol 134.23
    n-heptanol 15.11
    ethylbenzene 16.76
    MIBK 63.0
    2-propoxyethanol 107.79
    tert-butanol 36.47
    MTBE 13.48
    2-butoxyethanol 54.49
    propionic acid 44.93
    o-xylene 27.81
    formic acid 44.79
    diethyl ether 23.98
    m-xylene 45.85
    p-xylene 21.0
    chlorobenzene 82.52
    dimethyl carbonate 82.17
    n-octane 0.2
    formamide 76.29
    cyclopentanone 247.15
    2-pentanone 89.05
    anisole 44.19
    cyclopentyl methyl ether 78.2
    gamma-butyrolactone 229.77
    1-methoxy-2-propanol 148.52
    pyridine 178.26
    3-pentanone 60.64
    furfural 203.43
    n-dodecane 0.27
    diethylene glycol 94.2
    diisopropyl ether 8.44
    tert-amyl alcohol 14.28
    acetylacetone 126.11
    n-hexadecane 0.35
    acetophenone 60.19
    methyl propionate 78.42
    isopentyl acetate 43.13
    trichloroethylene 292.58
    n-nonanol 9.73
    cyclohexanol 43.95
    benzyl alcohol 53.74
    2-ethylhexanol 13.71
    isooctanol 13.25
    dipropyl ether 12.58
    1,2-dichlorobenzene 69.76
    ethyl lactate 37.21
    propylene carbonate 104.27
    n-methylformamide 134.6
    2-pentanol 23.65
    n-pentane 0.8
    1-propoxy-2-propanol 65.81
    1-methoxy-2-propyl acetate 84.48
    2-(2-methoxypropoxy) propanol 51.76
    mesitylene 19.67
    ε-caprolactone 114.3
    p-cymene 10.03
    epichlorohydrin 252.03
    1,1,1-trichloroethane 77.8
    2-aminoethanol 25.11
    morpholine-4-carbaldehyde 226.59
    sulfolane 235.34
    2,2,4-trimethylpentane 0.51
    2-methyltetrahydrofuran 80.95
    n-hexyl acetate 35.27
    isooctane 0.69
    2-(2-butoxyethoxy)ethanol 64.86
    sec-butyl acetate 27.85
    tert-butyl acetate 56.16
    decalin 1.14
    glycerin 49.72
    diglyme 123.97
    acrylic acid 56.42
    isopropyl myristate 14.82
    n-butyric acid 90.59
    acetyl acetate 69.12
    di(2-ethylhexyl) phthalate 25.52
    ethyl propionate 39.21
    nitromethane 175.34
    1,2-diethoxyethane 33.4
    benzonitrile 82.78
    trioctyl phosphate 17.44
    1-bromopropane 34.1
    gamma-valerolactone 315.07
    n-decanol 6.7
    triethyl phosphate 22.21
    4-methyl-2-pentanol 19.97
    propionitrile 65.91
    vinylene carbonate 124.65
    1,1,2-trichlorotrifluoroethane 169.12
    DMS 50.88
    cumene 9.32
    2-octanol 6.9
    2-hexanone 36.94
    octyl acetate 19.45
    limonene 11.04
    1,2-dimethoxyethane 96.88
    ethyl orthosilicate 19.49
    tributyl phosphate 19.14
    diacetone alcohol 82.26
    N,N-dimethylaniline 28.72
    acrylonitrile 106.82
    aniline 90.93
    1,3-propanediol 60.76
    bromobenzene 85.18
    dibromomethane 98.54
    1,1,2,2-tetrachloroethane 202.45
    2-methyl-cyclohexyl acetate 33.47
    tetrabutyl urea 27.03
    diisobutyl methanol 10.16
    2-phenylethanol 59.34
    styrene 21.4
    dioctyl adipate 26.96
    dimethyl sulfate 118.9
    ethyl butyrate 31.96
    methyl lactate 78.75
    butyl lactate 36.55
    diethyl carbonate 25.57
    propanediol butyl ether 40.11
    triethyl orthoformate 27.54
    p-tert-butyltoluene 9.86
    methyl 4-tert-butylbenzoate 51.58
    morpholine 157.99
    tert-butylamine 12.05
    n-dodecanol 4.59
    dimethoxymethane 210.23
    ethylene carbonate 103.94
    cyrene 76.31
    2-ethoxyethyl acetate 57.48
    2-ethylhexyl acetate 31.8
    1,2,4-trichlorobenzene 87.77
    4-methylpyridine 162.53
    dibutyl ether 7.2
    2,6-dimethyl-4-heptanol 10.16
    DEF 81.34
    dimethyl isosorbide 106.69
    tetrachloroethylene 112.1
    eugenol 58.59
    triacetin 50.53
    span 80 41.11
    1,4-butanediol 16.85
    1,1-dichloroethane 92.75
    2-methyl-1-pentanol 18.01
    methyl formate 102.75
    2-methyl-1-butanol 27.94
    n-decane 0.43
    butyronitrile 64.09
    3,7-dimethyl-1-octanol 11.45
    1-chlorooctane 3.49
    1-chlorotetradecane 1.61
    n-nonane 0.29
    undecane 0.33
    tert-butylcyclohexane 0.86
    cyclooctane 0.71
    cyclopentanol 53.52
    tetrahydropyran 91.87
    tert-amyl methyl ether 11.44
    2,5,8-trioxanonane 82.35
    1-hexene 2.79
    2-isopropoxyethanol 37.06
    2,2,2-trifluoroethanol 42.95
    methyl butyrate 48.12

    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