Mokko Lactone

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  • Identifiers

    CAS number
    4955-03-7

    Molecular formula
    C15H20O2

    SMILES
    C[C@H]1[C@@H]2CCC(=C)[C@@H]3CCC(=C)[C@@H]3[C@H]2OC1=O

    Safety labels

  • Odor profile

    Fragrance
    Woody 55.29%
    Spicy 44.16%
    Green 40.9%
    Nutty 31.02%
    Herbal 29.97%
    Mint 28.38%
    Fruity 26.91%
    Sweet 24.57%
    Tobacco 23.91%
    Fresh 23.23%

     

    Flavor
    Bitter 71.74%
    Minty 22.96%
    Cedarleaf 21.88%
    Herbal 21.44%
    Basil 20.98%
    Lovage 20.75%
    Alkaline 20.45%
    Terpentine 20.33%
    Shrimp 20.26%
    Ripe apricot 19.83%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.84 (neutral)

    Molecular weight
    232.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    383°C

    Flash point

    • 136.2 ˚C est.

  • Synonyms

    • mokko lactone
    • (3S,3aS,6aR,9aR,9bS)-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
    • (3S,3aS,6aR,9aR,9bS)-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno(4,5-b)furan-2-one
    • RefChem:926024
    • mokkolactone
    • 4955-03-7
    • (+)-Mokkolactone
    • Dehydrodihydrocostus lactone
    • CHEMBL453274
    • SCHEMBL29409720
    • DTXSID80964252
    • Azuleno(4,5-b)furan-2(3H)-one, decahydro-3-methyl-6,9-bis(methylene)-, (3S,3aS,6aR,9aR,9bS)-
    • (+)-11alpha,13-Dihydrodehydrocostuslactone
    • 3-Methyl-6,9-dimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one
    • (3S,3aS,6aR,9aR,9bS)-3-Methyl-6,9-dimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one
    • 4955-03-7

  • Applications

    Mokko Lactone (CAS 4955-03-7) is an aroma-active compound primarily used as an odorant in perfumery and fragrance formulations. Real-world applications include: serving as a fragrance ingredient in perfumes and cosmetics and personal care; providing scent in household products such as air fresheners and cleaners; used as an intermediate in the synthesis of other fragrance compounds; potentially functioning as a fixative or profile modifier in certain formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 315.95
    methanol 473.17
    isopropanol 524.41
    water 2.44
    ethyl acetate 412.99
    n-propanol 428.44
    acetone 633.47
    n-butanol 405.82
    acetonitrile 364.34
    DMF 894.89
    toluene 611.01
    isobutanol 390.03
    1,4-dioxane 985.24
    methyl acetate 539.74
    THF 1300.06
    2-butanone 719.66
    n-pentanol 213.55
    sec-butanol 340.18
    n-hexane 5.21
    ethylene glycol 79.5
    NMP 566.09
    cyclohexane 32.77
    DMSO 494.31
    n-butyl acetate 312.56
    n-octanol 99.71
    chloroform 2754.96
    n-propyl acetate 291.86
    acetic acid 353.8
    dichloromethane 1996.44
    cyclohexanone 1007.16
    propylene glycol 114.57
    isopropyl acetate 319.88
    DMAc 581.19
    2-ethoxyethanol 321.98
    isopentanol 398.95
    n-heptane 6.81
    ethyl formate 431.54
    1,2-dichloroethane 862.5
    n-hexanol 215.71
    2-methoxyethanol 539.86
    isobutyl acetate 229.4
    tetrachloromethane 250.75
    n-pentyl acetate 233.28
    transcutol 810.79
    n-heptanol 124.35
    ethylbenzene 204.35
    MIBK 306.34
    2-propoxyethanol 401.33
    tert-butanol 415.04
    MTBE 249.6
    2-butoxyethanol 265.24
    propionic acid 358.26
    o-xylene 269.98
    formic acid 128.75
    diethyl ether 225.02
    m-xylene 334.66
    p-xylene 296.41
    chlorobenzene 706.92
    dimethyl carbonate 207.72
    n-octane 5.25
    formamide 252.05
    cyclopentanone 1159.22
    2-pentanone 464.36
    anisole 355.5
    cyclopentyl methyl ether 346.78
    gamma-butyrolactone 1117.07
    1-methoxy-2-propanol 463.77
    pyridine 1293.91
    3-pentanone 329.85
    furfural 1016.49
    n-dodecane 7.56
    diethylene glycol 337.85
    diisopropyl ether 79.14
    tert-amyl alcohol 255.29
    acetylacetone 517.64
    n-hexadecane 9.16
    acetophenone 381.01
    methyl propionate 329.63
    isopentyl acetate 320.89
    trichloroethylene 1950.34
    n-nonanol 95.44
    cyclohexanol 403.08
    benzyl alcohol 418.51
    2-ethylhexanol 122.0
    isooctanol 113.62
    dipropyl ether 84.29
    1,2-dichlorobenzene 566.18
    ethyl lactate 157.06
    propylene carbonate 633.29
    n-methylformamide 452.17
    2-pentanol 248.81
    n-pentane 11.07
    1-propoxy-2-propanol 256.61
    1-methoxy-2-propyl acetate 327.7
    2-(2-methoxypropoxy) propanol 226.35
    mesitylene 176.61
    ε-caprolactone 730.37
    p-cymene 107.64
    epichlorohydrin 1228.15
    1,1,1-trichloroethane 807.67
    2-aminoethanol 166.17
    morpholine-4-carbaldehyde 721.41
    sulfolane 768.91
    2,2,4-trimethylpentane 11.83
    2-methyltetrahydrofuran 671.86
    n-hexyl acetate 268.25
    isooctane 11.8
    2-(2-butoxyethoxy)ethanol 323.63
    sec-butyl acetate 216.38
    tert-butyl acetate 260.55
    decalin 21.29
    glycerin 182.86
    diglyme 602.85
    acrylic acid 328.77
    isopropyl myristate 108.79
    n-butyric acid 523.85
    acetyl acetate 330.81
    di(2-ethylhexyl) phthalate 149.1
    ethyl propionate 217.32
    nitromethane 622.41
    1,2-diethoxyethane 272.29
    benzonitrile 695.06
    trioctyl phosphate 95.74
    1-bromopropane 383.96
    gamma-valerolactone 1234.69
    n-decanol 71.86
    triethyl phosphate 108.17
    4-methyl-2-pentanol 175.67
    propionitrile 452.32
    vinylene carbonate 717.57
    1,1,2-trichlorotrifluoroethane 608.15
    DMS 288.69
    cumene 134.67
    2-octanol 91.9
    2-hexanone 298.25
    octyl acetate 134.66
    limonene 118.14
    1,2-dimethoxyethane 565.4
    ethyl orthosilicate 103.31
    tributyl phosphate 114.76
    diacetone alcohol 278.21
    N,N-dimethylaniline 210.54
    acrylonitrile 583.65
    aniline 571.07
    1,3-propanediol 332.29
    bromobenzene 764.57
    dibromomethane 1120.89
    1,1,2,2-tetrachloroethane 1352.33
    2-methyl-cyclohexyl acetate 188.31
    tetrabutyl urea 140.24
    diisobutyl methanol 87.86
    2-phenylethanol 339.35
    styrene 254.33
    dioctyl adipate 157.69
    dimethyl sulfate 289.77
    ethyl butyrate 210.3
    methyl lactate 202.19
    butyl lactate 198.85
    diethyl carbonate 164.95
    propanediol butyl ether 226.57
    triethyl orthoformate 144.0
    p-tert-butyltoluene 95.71
    methyl 4-tert-butylbenzoate 259.44
    morpholine 878.91
    tert-butylamine 219.98
    n-dodecanol 57.17
    dimethoxymethane 487.65
    ethylene carbonate 576.97
    cyrene 274.74
    2-ethoxyethyl acetate 337.08
    2-ethylhexyl acetate 238.94
    1,2,4-trichlorobenzene 632.91
    4-methylpyridine 1106.6
    dibutyl ether 99.21
    2,6-dimethyl-4-heptanol 87.86
    DEF 353.95
    dimethyl isosorbide 391.92
    tetrachloroethylene 824.97
    eugenol 277.12
    triacetin 277.48
    span 80 203.62
    1,4-butanediol 138.48
    1,1-dichloroethane 1045.13
    2-methyl-1-pentanol 229.5
    methyl formate 419.83
    2-methyl-1-butanol 315.46
    n-decane 10.91
    butyronitrile 458.49
    3,7-dimethyl-1-octanol 119.3
    1-chlorooctane 65.97
    1-chlorotetradecane 31.15
    n-nonane 8.26
    undecane 8.85
    tert-butylcyclohexane 17.41
    cyclooctane 9.74
    cyclopentanol 475.71
    tetrahydropyran 805.93
    tert-amyl methyl ether 144.32
    2,5,8-trioxanonane 365.58
    1-hexene 45.85
    2-isopropoxyethanol 244.45
    2,2,2-trifluoroethanol 195.78
    methyl butyrate 328.16

    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