Marasmene

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  • Identifiers

    CAS number
    124869-12-1

    Molecular formula
    C15H22O2

    SMILES
    CC1(CCC[C@@]23[C@H]1CC=C4[C@@H]2[C@H](OC4)OC3)C

    Safety labels

  • Odor profile

    Fragrance
    Woody 70.89%
    Amber 45.31%
    Dry 39.06%
    Spicy 38.05%
    Green 37.48%
    Sweet 36.09%
    Cedar 36.08%
    Fresh 35.1%
    Floral 33.49%
    Musk 32.82%

     

    Flavor
    Bitter 42.16%
    Earthy 31.51%
    Woody 24.42%
    Fresh 23.11%
    Fatty 23.04%
    Spicy 22.95%
    Soil 22.15%
    Patchouli 22.03%
    Beet 21.88%
    Cereal 21.81%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    7.4 (neutral)

    Molecular weight
    234.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    336°C

    Melting point expt.

    • 70 - 74 °C

    Flash point

    • 158.11 ˚C est.

  • Synonyms

    • Marasmene
    • SCHEMBL31571687
    • CHEBI:191785
    • DTXSID901109298
    • AKOS000277009
    • (1R,6S,12R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene
    • 124869-12-1
    • (1R,6S,12R,15S)-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.0^{1,6}.0^{12,15}]pentadec-8-ene
    • 2H,9H-Benzo[e]furo[2,3,4-c]isobenzofuran, 4,4a,5,6,7,8,10a,10b-octahydro-5,5-dimethyl-, (4aS,8aR,10aR,10bS)-
    • 124869-12-1

  • Applications

    Marasmene (CAS 124869-12-1) is typically evaluated for several industrial applications. It may serve as an intermediate in organic synthesis and as a processing solvent in chemical manufacture. In perfumery and cosmetics, it may be used as a fragrance ingredient or odorant, and may function as a fixative in formulations, subject to regulatory and formulation limits. It is also explored for use in coatings, inks, and polymer formulations, and may act as a processing aid or plasticizer in plastics and cleaning products, however, its selection and concentration are controlled by local regulations and product specifications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 29.94
    methanol 37.3
    isopropanol 28.65
    water 1.5
    ethyl acetate 92.22
    n-propanol 37.38
    acetone 92.3
    n-butanol 46.86
    acetonitrile 86.15
    DMF 128.2
    toluene 190.2
    isobutanol 34.08
    1,4-dioxane 175.82
    methyl acetate 83.76
    THF 256.2
    2-butanone 93.6
    n-pentanol 26.74
    sec-butanol 19.48
    n-hexane 2.19
    ethylene glycol 15.2
    NMP 183.49
    cyclohexane 14.9
    DMSO 73.4
    n-butyl acetate 87.21
    n-octanol 33.18
    chloroform 477.13
    n-propyl acetate 62.47
    acetic acid 75.19
    dichloromethane 352.69
    cyclohexanone 220.17
    propylene glycol 12.89
    isopropyl acetate 83.49
    DMAc 112.76
    2-ethoxyethanol 49.11
    isopentanol 47.27
    n-heptane 5.76
    ethyl formate 84.3
    1,2-dichloroethane 165.35
    n-hexanol 50.15
    2-methoxyethanol 86.0
    isobutyl acetate 62.72
    tetrachloromethane 65.95
    n-pentyl acetate 73.18
    transcutol 170.39
    n-heptanol 38.64
    ethylbenzene 57.2
    MIBK 80.19
    2-propoxyethanol 105.81
    tert-butanol 32.88
    MTBE 29.83
    2-butoxyethanol 77.26
    propionic acid 54.76
    o-xylene 94.11
    formic acid 32.43
    diethyl ether 41.82
    m-xylene 127.14
    p-xylene 78.05
    chlorobenzene 214.66
    dimethyl carbonate 68.55
    n-octane 3.38
    formamide 49.46
    cyclopentanone 249.53
    2-pentanone 91.48
    anisole 93.44
    cyclopentyl methyl ether 114.89
    gamma-butyrolactone 263.23
    1-methoxy-2-propanol 70.42
    pyridine 254.21
    3-pentanone 78.14
    furfural 276.26
    n-dodecane 4.79
    diethylene glycol 83.2
    diisopropyl ether 24.47
    tert-amyl alcohol 19.88
    acetylacetone 130.56
    n-hexadecane 5.78
    acetophenone 111.75
    methyl propionate 85.14
    isopentyl acetate 94.48
    trichloroethylene 391.89
    n-nonanol 35.4
    cyclohexanol 62.91
    benzyl alcohol 84.31
    2-ethylhexanol 42.45
    isooctanol 35.34
    dipropyl ether 40.08
    1,2-dichlorobenzene 193.55
    ethyl lactate 46.0
    propylene carbonate 167.4
    n-methylformamide 75.35
    2-pentanol 26.35
    n-pentane 4.3
    1-propoxy-2-propanol 68.67
    1-methoxy-2-propyl acetate 115.49
    2-(2-methoxypropoxy) propanol 79.85
    mesitylene 74.03
    ε-caprolactone 177.23
    p-cymene 54.5
    epichlorohydrin 256.8
    1,1,1-trichloroethane 171.9
    2-aminoethanol 26.96
    morpholine-4-carbaldehyde 199.22
    sulfolane 198.75
    2,2,4-trimethylpentane 4.1
    2-methyltetrahydrofuran 135.48
    n-hexyl acetate 87.07
    isooctane 4.96
    2-(2-butoxyethoxy)ethanol 93.0
    sec-butyl acetate 55.38
    tert-butyl acetate 80.96
    decalin 10.59
    glycerin 30.26
    diglyme 166.87
    acrylic acid 68.54
    isopropyl myristate 47.19
    n-butyric acid 98.1
    acetyl acetate 104.05
    di(2-ethylhexyl) phthalate 57.14
    ethyl propionate 63.45
    nitromethane 141.62
    1,2-diethoxyethane 67.69
    benzonitrile 167.94
    trioctyl phosphate 41.37
    1-bromopropane 77.73
    gamma-valerolactone 287.9
    n-decanol 27.83
    triethyl phosphate 49.89
    4-methyl-2-pentanol 28.44
    propionitrile 85.99
    vinylene carbonate 199.99
    1,1,2-trichlorotrifluoroethane 136.74
    DMS 89.79
    cumene 43.95
    2-octanol 24.09
    2-hexanone 59.57
    octyl acetate 53.83
    limonene 56.78
    1,2-dimethoxyethane 94.79
    ethyl orthosilicate 48.67
    tributyl phosphate 45.83
    diacetone alcohol 73.97
    N,N-dimethylaniline 64.83
    acrylonitrile 121.59
    aniline 129.37
    1,3-propanediol 49.78
    bromobenzene 249.06
    dibromomethane 209.28
    1,1,2,2-tetrachloroethane 253.38
    2-methyl-cyclohexyl acetate 82.17
    tetrabutyl urea 56.46
    diisobutyl methanol 31.33
    2-phenylethanol 106.78
    styrene 70.73
    dioctyl adipate 68.19
    dimethyl sulfate 86.96
    ethyl butyrate 75.65
    methyl lactate 51.9
    butyl lactate 63.61
    diethyl carbonate 60.98
    propanediol butyl ether 54.59
    triethyl orthoformate 61.73
    p-tert-butyltoluene 50.11
    methyl 4-tert-butylbenzoate 102.56
    morpholine 157.61
    tert-butylamine 22.39
    n-dodecanol 22.65
    dimethoxymethane 111.8
    ethylene carbonate 158.99
    cyrene 96.83
    2-ethoxyethyl acetate 103.08
    2-ethylhexyl acetate 81.13
    1,2,4-trichlorobenzene 202.74
    4-methylpyridine 226.65
    dibutyl ether 32.68
    2,6-dimethyl-4-heptanol 31.33
    DEF 95.66
    dimethyl isosorbide 160.04
    tetrachloroethylene 168.29
    eugenol 96.61
    triacetin 101.06
    span 80 69.53
    1,4-butanediol 20.51
    1,1-dichloroethane 153.21
    2-methyl-1-pentanol 30.14
    methyl formate 77.48
    2-methyl-1-butanol 35.91
    n-decane 7.05
    butyronitrile 87.1
    3,7-dimethyl-1-octanol 38.09
    1-chlorooctane 29.86
    1-chlorotetradecane 15.8
    n-nonane 5.23
    undecane 5.73
    tert-butylcyclohexane 7.8
    cyclooctane 6.92
    cyclopentanol 64.3
    tetrahydropyran 133.87
    tert-amyl methyl ether 25.6
    2,5,8-trioxanonane 122.11
    1-hexene 10.38
    2-isopropoxyethanol 42.81
    2,2,2-trifluoroethanol 53.44
    methyl butyrate 75.6

    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