Momilactone A

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  • Identifiers

    CAS number
    51415-07-7

    Molecular formula
    C20H26O3

    SMILES
    C[C@]1(CC[C@@H]2C(=C[C@@H]3[C@@H]4[C@@]2(CCC(=O)[C@@]4(C(=O)O3)C)C)C1)C=C

    Safety labels

  • Odor profile

    Fragrance
    Woody 59.56%
    Spicy 43.14%
    Green 33.0%
    Tobacco 30.02%
    Sweet 29.2%
    Fruity 28.08%
    Cedar 27.98%
    Amber 27.2%
    Coconut 26.16%
    Dry 25.8%

     

    Flavor
    Bitter 71.31%
    Minty 23.84%
    Cedarleaf 22.36%
    Lovage 21.21%
    Ripe apricot 20.77%
    Red fruit 20.36%
    Basil 20.18%
    Parsley 19.53%
    Outdoor 19.26%
    Leaves 18.89%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    7.23 (neutral)

    Molecular weight
    314.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    553°C

    Flash point

    • 209.33 ˚C est.

  • Synonyms

    • Momilactone A
    • Momilacton A
    • 51415-07-7
    • RJG8M9XC9B
    • (1R,2R,5R,9R,12R,16R)-5-ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-ene-11,13-dione
    • 3-oxo-9beta-pimara-7,15-dien-19,6beta-olide
    • 6beta,18-epoxy-9beta-pimara-7,15-diene-3,18-dione
    • CHEBI:49191
    • (1R,2R,5R,9R,12R,16R)-5-ethenyl-1,5,12-trimethyl-10-oxatetracyclo(7.6.1.02,7.012,16)hexadec-7-ene-11,13-dione
    • RefChem:159403
    • (3aR,3a1R,5aR,8R,10aR,10bR)-3a,8,10b-Trimethyl-8-vinyl-3a1,5a,7,8,9,10,10a,10b-octahydro-1H-phenanthro[10,1-bc]furan-3,4(2H,3aH)-dione
    • 5-Ethenyl-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-ene-11,13-dione
    • UNII-RJG8M9XC9B
    • orb2893320
    • SCHEMBL2808327
    • CHEMBL2271029
    • DTXSID70965733
    • LMPR0104080002
    • XM165579
    • 6,18-Epoxypimara-7,15-diene-3,18-dione
    • C18015
    • Q27104650
    • 6beta,9beta-6,18-Epoxypimara-7,15-diene-3,18-dione
    • (1R,2R,5R,9R,12R,16R)-1,5,12-trimethyl-5-vinyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-ene-11,13-dione
    • (3aR,3a1R,5aR,8R,10aR,10bR)-3a,8,10b-trimethyl-8-vinyl-1,3a,3a1,5a,7,8,9,10,10a,10b-decahydro-3H-phenanthro[10,1-bc]furan-3,4(2H)-dione
    • (3aR,5aR,8R,10aR,10bR,10cR)-8-Ethenyl-5a,7,8,9,10,10a,10b,10c-octahydro-3a,8,10b-trimethyl-1H-phenanthro[10,1-bc]furan-3,4(2H,3aH)-dione
    • 1H-Phenanthro(10,11-bc)furan-3,4-(2H,3aH)-dione, 8-ethenyl-5a,7,8,9,10,10a,10b,10c-octahydro-3a,8,10b-trimethyl-, (3aR-(3aalpha,5aalpha,8beta,10abeta,10bbeta,10calpha))-
    • 1H-Phenanthro[10,1-bc]furan-3,4(2H,3aH)-dione, 8-ethenyl-5a,7,8,9,10,10a,10b,10c-octahydro-3a,8,10b-trimethyl-, (3aR,5aR,8R,10aR,10bR,10cR)-
    • 51415-07-7

  • Applications

    Momilactone A (CAS 51415-07-7) is a rice-derived diterpenoid phytoalexin produced in response to biotic stress and exhibits antifungal and antimicrobial activity; in real-world contexts it is primarily studied in agriculture and plant sciences as a natural lead compound for biopesticide development, as an elicitor of plant defense responses, and as an allelopathic agent that can influence the growth of neighboring plants; it is also used as an analytical reference standard for the identification and quantification of phytoalexins in plant tissue and related samples.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 41.43
    methanol 46.89
    isopropanol 93.33
    water 0.13
    ethyl acetate 115.51
    n-propanol 82.16
    acetone 139.87
    n-butanol 102.6
    acetonitrile 80.19
    DMF 401.84
    toluene 255.93
    isobutanol 79.89
    1,4-dioxane 263.32
    methyl acetate 98.12
    THF 628.75
    2-butanone 149.98
    n-pentanol 40.83
    sec-butanol 51.35
    n-hexane 1.26
    ethylene glycol 11.98
    NMP 293.41
    cyclohexane 7.65
    DMSO 131.04
    n-butyl acetate 74.08
    n-octanol 14.69
    chloroform 622.55
    n-propyl acetate 63.89
    acetic acid 85.63
    dichloromethane 362.09
    cyclohexanone 274.86
    propylene glycol 22.25
    isopropyl acetate 102.49
    DMAc 253.6
    2-ethoxyethanol 71.03
    isopentanol 104.24
    n-heptane 1.11
    ethyl formate 63.05
    1,2-dichloroethane 203.31
    n-hexanol 58.34
    2-methoxyethanol 165.96
    isobutyl acetate 58.8
    tetrachloromethane 41.5
    n-pentyl acetate 54.37
    transcutol 239.6
    n-heptanol 26.57
    ethylbenzene 47.18
    MIBK 109.9
    2-propoxyethanol 169.85
    tert-butanol 89.51
    MTBE 39.39
    2-butoxyethanol 78.96
    propionic acid 66.06
    o-xylene 79.58
    formic acid 32.9
    diethyl ether 56.53
    m-xylene 129.28
    p-xylene 61.63
    chlorobenzene 190.41
    dimethyl carbonate 100.63
    n-octane 0.5
    formamide 57.27
    cyclopentanone 380.09
    2-pentanone 148.87
    anisole 96.81
    cyclopentyl methyl ether 176.37
    gamma-butyrolactone 325.29
    1-methoxy-2-propanol 190.14
    pyridine 323.12
    3-pentanone 104.45
    furfural 265.91
    n-dodecane 0.58
    diethylene glycol 119.82
    diisopropyl ether 20.5
    tert-amyl alcohol 40.66
    acetylacetone 173.45
    n-hexadecane 0.74
    acetophenone 103.05
    methyl propionate 119.25
    isopentyl acetate 81.68
    trichloroethylene 510.08
    n-nonanol 17.09
    cyclohexanol 111.25
    benzyl alcohol 101.29
    2-ethylhexanol 27.69
    isooctanol 24.28
    dipropyl ether 25.25
    1,2-dichlorobenzene 148.07
    ethyl lactate 51.4
    propylene carbonate 168.16
    n-methylformamide 132.07
    2-pentanol 61.75
    n-pentane 2.55
    1-propoxy-2-propanol 105.03
    1-methoxy-2-propyl acetate 133.09
    2-(2-methoxypropoxy) propanol 80.77
    mesitylene 53.17
    ε-caprolactone 196.3
    p-cymene 23.25
    epichlorohydrin 402.34
    1,1,1-trichloroethane 170.68
    2-aminoethanol 34.49
    morpholine-4-carbaldehyde 317.05
    sulfolane 290.68
    2,2,4-trimethylpentane 1.74
    2-methyltetrahydrofuran 202.11
    n-hexyl acetate 60.0
    isooctane 2.02
    2-(2-butoxyethoxy)ethanol 98.37
    sec-butyl acetate 54.22
    tert-butyl acetate 95.47
    decalin 3.63
    glycerin 51.36
    diglyme 184.35
    acrylic acid 68.21
    isopropyl myristate 27.41
    n-butyric acid 129.99
    acetyl acetate 98.75
    di(2-ethylhexyl) phthalate 43.53
    ethyl propionate 65.2
    nitromethane 157.24
    1,2-diethoxyethane 65.84
    benzonitrile 147.93
    trioctyl phosphate 27.37
    1-bromopropane 91.17
    gamma-valerolactone 429.51
    n-decanol 12.1
    triethyl phosphate 36.03
    4-methyl-2-pentanol 47.33
    propionitrile 108.97
    vinylene carbonate 172.72
    1,1,2-trichlorotrifluoroethane 215.69
    DMS 86.26
    cumene 26.49
    2-octanol 13.98
    2-hexanone 65.62
    octyl acetate 33.37
    limonene 24.97
    1,2-dimethoxyethane 134.73
    ethyl orthosilicate 34.03
    tributyl phosphate 32.1
    diacetone alcohol 124.56
    N,N-dimethylaniline 60.76
    acrylonitrile 147.38
    aniline 208.78
    1,3-propanediol 86.3
    bromobenzene 202.38
    dibromomethane 211.58
    1,1,2,2-tetrachloroethane 375.59
    2-methyl-cyclohexyl acetate 59.84
    tetrabutyl urea 43.29
    diisobutyl methanol 20.55
    2-phenylethanol 105.5
    styrene 60.92
    dioctyl adipate 46.3
    dimethyl sulfate 133.72
    ethyl butyrate 52.85
    methyl lactate 93.17
    butyl lactate 56.22
    diethyl carbonate 42.92
    propanediol butyl ether 61.59
    triethyl orthoformate 45.55
    p-tert-butyltoluene 21.93
    methyl 4-tert-butylbenzoate 85.33
    morpholine 310.29
    tert-butylamine 38.12
    n-dodecanol 8.71
    dimethoxymethane 256.21
    ethylene carbonate 148.14
    cyrene 110.28
    2-ethoxyethyl acetate 94.25
    2-ethylhexyl acetate 61.19
    1,2,4-trichlorobenzene 181.68
    4-methylpyridine 347.77
    dibutyl ether 15.16
    2,6-dimethyl-4-heptanol 20.55
    DEF 128.89
    dimethyl isosorbide 160.27
    tetrachloroethylene 192.73
    eugenol 92.58
    triacetin 78.75
    span 80 62.27
    1,4-butanediol 24.83
    1,1-dichloroethane 207.67
    2-methyl-1-pentanol 42.61
    methyl formate 95.13
    2-methyl-1-butanol 68.57
    n-decane 0.96
    butyronitrile 112.03
    3,7-dimethyl-1-octanol 22.3
    1-chlorooctane 8.22
    1-chlorotetradecane 3.52
    n-nonane 0.7
    undecane 0.72
    tert-butylcyclohexane 2.74
    cyclooctane 2.24
    cyclopentanol 126.56
    tetrahydropyran 232.86
    tert-amyl methyl ether 31.22
    2,5,8-trioxanonane 119.3
    1-hexene 9.36
    2-isopropoxyethanol 58.72
    2,2,2-trifluoroethanol 46.86
    methyl butyrate 78.34

    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