Marshmine

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  • Identifiers

    CAS number
    160927-88-8

    Molecular formula
    C20H21NO5

    SMILES
    CC(=C)C(CC1=C(C=C(C2=C1N(C3=C(C2=O)C=CC=C3O)C)O)OC)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 46.37%
    Sweet 30.77%
    Phenolic 28.27%
    Fruity 27.25%
    Dry 26.93%
    Vanilla 25.89%
    Spicy 24.93%
    Powdery 23.91%
    Musk 23.15%
    Bitter 22.82%

     

    Flavor
    Bitter 92.49%
    Odorless 35.7%
    Bland 26.51%
    Sweet-like 21.09%
    Cedarleaf 19.96%
    Parsley 19.34%
    Nitrile 19.12%
    Lovage 18.71%
    Broom 18.59%
    Heather 18.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    9.11 (weak base)

    Molecular weight
    355.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    965°C

    Flash point

    • 288.35 ˚C est.

  • Synonyms

    • Marshmine
    • (-)-Marshmine
    • 160927-88-8
    • SCHEMBL29390230
    • CHEBI:174772
    • DTXSID201121483
    • 1,5-Dihydroxy-4-(2-hydroxy-3-methyl-3-butenyl)-3-methoxy-10-methylacridone
    • 1,5-Dihydroxy-4-(2-hydroxy-3-methylbut-3-en-1-yl)-3-methoxy-10-methylacridin-9(10H)-one
    • 1,5-dihydroxy-4-(2-hydroxy-3-methylbut-3-enyl)-3-methoxy-10-methylacridin-9-one
    • (-)-1,5-Dihydroxy-4-(2-hydroxy-3-methyl-3-buten-1-yl)-3-methoxy-10-methyl-9(10H)-acridinone
    • 160927-88-8

  • Applications

    Marshmine (CAS 160927-88-8) is a versatile chemical primarily used as an intermediate in organic synthesis and as a processing aid in a range of manufacturing applications. In industry, it may serve as a solvent or co-solvent in coatings, inks, and polymer formulations, and as a plasticizer or stabilizer to improve flexibility and durability in plastics processing. In perfumery and cosmetics, it is commonly evaluated as an odorant or fragrance fixative to contribute to scent longevity. In household products, it can function as a solvent or fragrance component to support formulation performance and product stability. Its use is typically subject to local regulations and formulation limits, with compatibility assessed on a case-by-case basis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14.46
    methanol 19.94
    isopropanol 8.4
    water 0.06
    ethyl acetate 11.09
    n-propanol 13.35
    acetone 27.88
    n-butanol 10.09
    acetonitrile 8.9
    DMF 73.82
    toluene 1.49
    isobutanol 7.91
    1,4-dioxane 22.12
    methyl acetate 18.36
    THF 72.36
    2-butanone 27.75
    n-pentanol 7.05
    sec-butanol 7.35
    n-hexane 0.07
    ethylene glycol 9.42
    NMP 66.42
    cyclohexane 0.18
    DMSO 112.42
    n-butyl acetate 7.06
    n-octanol 2.29
    chloroform 11.84
    n-propyl acetate 8.74
    acetic acid 67.73
    dichloromethane 11.27
    cyclohexanone 41.67
    propylene glycol 7.71
    isopropyl acetate 5.81
    DMAc 107.24
    2-ethoxyethanol 29.84
    isopentanol 8.24
    n-heptane 0.07
    ethyl formate 14.69
    1,2-dichloroethane 10.05
    n-hexanol 6.07
    2-methoxyethanol 64.25
    isobutyl acetate 5.0
    tetrachloromethane 1.69
    n-pentyl acetate 6.05
    transcutol 23.66
    n-heptanol 4.12
    ethylbenzene 1.06
    MIBK 7.36
    2-propoxyethanol 29.08
    tert-butanol 9.61
    MTBE 2.71
    2-butoxyethanol 16.77
    propionic acid 17.1
    o-xylene 1.31
    formic acid 38.48
    diethyl ether 3.35
    m-xylene 1.09
    p-xylene 1.71
    chlorobenzene 3.24
    dimethyl carbonate 14.96
    n-octane 0.06
    formamide 50.3
    cyclopentanone 57.3
    2-pentanone 14.82
    anisole 4.54
    cyclopentyl methyl ether 7.98
    gamma-butyrolactone 55.39
    1-methoxy-2-propanol 30.37
    pyridine 21.49
    3-pentanone 10.53
    furfural 47.38
    n-dodecane 0.08
    diethylene glycol 34.53
    diisopropyl ether 0.65
    tert-amyl alcohol 7.57
    acetylacetone 17.87
    n-hexadecane 0.09
    acetophenone 9.88
    methyl propionate 16.47
    isopentyl acetate 7.53
    trichloroethylene 23.91
    n-nonanol 2.68
    cyclohexanol 8.36
    benzyl alcohol 10.31
    2-ethylhexanol 3.33
    isooctanol 3.46
    dipropyl ether 2.34
    1,2-dichlorobenzene 3.78
    ethyl lactate 9.41
    propylene carbonate 22.08
    n-methylformamide 40.84
    2-pentanol 3.79
    n-pentane 0.07
    1-propoxy-2-propanol 12.94
    1-methoxy-2-propyl acetate 12.05
    2-(2-methoxypropoxy) propanol 13.29
    mesitylene 0.64
    ε-caprolactone 31.55
    p-cymene 1.25
    epichlorohydrin 54.07
    1,1,1-trichloroethane 5.91
    2-aminoethanol 13.29
    morpholine-4-carbaldehyde 60.73
    sulfolane 73.38
    2,2,4-trimethylpentane 0.09
    2-methyltetrahydrofuran 18.16
    n-hexyl acetate 5.61
    isooctane 0.05
    2-(2-butoxyethoxy)ethanol 16.64
    sec-butyl acetate 4.63
    tert-butyl acetate 6.36
    decalin 0.14
    glycerin 23.12
    diglyme 28.15
    acrylic acid 22.04
    isopropyl myristate 2.54
    n-butyric acid 21.17
    acetyl acetate 8.77
    di(2-ethylhexyl) phthalate 5.46
    ethyl propionate 7.75
    nitromethane 78.16
    1,2-diethoxyethane 6.04
    benzonitrile 8.53
    trioctyl phosphate 4.08
    1-bromopropane 2.88
    gamma-valerolactone 88.99
    n-decanol 2.01
    triethyl phosphate 5.7
    4-methyl-2-pentanol 2.69
    propionitrile 10.32
    vinylene carbonate 21.45
    1,1,2-trichlorotrifluoroethane 54.09
    DMS 9.1
    cumene 0.91
    2-octanol 2.03
    2-hexanone 10.54
    octyl acetate 3.87
    limonene 1.57
    1,2-dimethoxyethane 34.02
    ethyl orthosilicate 4.92
    tributyl phosphate 4.39
    diacetone alcohol 17.81
    N,N-dimethylaniline 3.91
    acrylonitrile 16.93
    aniline 6.74
    1,3-propanediol 26.61
    bromobenzene 2.07
    dibromomethane 5.33
    1,1,2,2-tetrachloroethane 18.22
    2-methyl-cyclohexyl acetate 7.11
    tetrabutyl urea 7.12
    diisobutyl methanol 1.73
    2-phenylethanol 10.12
    styrene 1.18
    dioctyl adipate 5.49
    dimethyl sulfate 25.25
    ethyl butyrate 5.92
    methyl lactate 17.4
    butyl lactate 7.99
    diethyl carbonate 5.31
    propanediol butyl ether 10.71
    triethyl orthoformate 5.28
    p-tert-butyltoluene 1.02
    methyl 4-tert-butylbenzoate 10.61
    morpholine 36.07
    tert-butylamine 2.49
    n-dodecanol 1.49
    dimethoxymethane 34.0
    ethylene carbonate 18.27
    cyrene 21.91
    2-ethoxyethyl acetate 11.36
    2-ethylhexyl acetate 5.4
    1,2,4-trichlorobenzene 6.56
    4-methylpyridine 14.56
    dibutyl ether 1.64
    2,6-dimethyl-4-heptanol 1.73
    DEF 21.31
    dimethyl isosorbide 22.42
    tetrachloroethylene 13.01
    eugenol 13.3
    triacetin 8.76
    span 80 10.11
    1,4-butanediol 9.26
    1,1-dichloroethane 5.95
    2-methyl-1-pentanol 6.5
    methyl formate 33.77
    2-methyl-1-butanol 7.9
    n-decane 0.11
    butyronitrile 8.13
    3,7-dimethyl-1-octanol 2.39
    1-chlorooctane 0.72
    1-chlorotetradecane 0.38
    n-nonane 0.07
    undecane 0.09
    tert-butylcyclohexane 0.1
    cyclooctane 0.06
    cyclopentanol 12.08
    tetrahydropyran 13.14
    tert-amyl methyl ether 2.82
    2,5,8-trioxanonane 21.37
    1-hexene 0.56
    2-isopropoxyethanol 15.57
    2,2,2-trifluoroethanol 26.28
    methyl butyrate 12.65

    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