Marshdine

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  • Identifiers

    CAS number
    160927-87-7

    Molecular formula
    C16H13NO5

    SMILES
    CN1C2=C(C(=CC(=C2)OC)O)C(=O)C3=C1C4=C(C=C3)OCO4

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 44.36%
    Odorless 37.07%
    Sweet 31.07%
    Spicy 29.25%
    Fruity 29.14%
    Powdery 27.57%
    Vanilla 27.22%
    Burnt 25.07%
    Animal 23.26%
    Dry 23.17%

     

    Flavor
    Bitter 96.63%
    Bland 21.98%
    Odorless 20.54%
    Sweet-like 19.13%
    Cedarleaf 19.08%
    Parsley 19.01%
    Lovage 18.58%
    Very strong 17.99%
    Indole 17.84%
    Ripe apricot 17.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    6.84 (neutral)

    Molecular weight
    299.28 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    633°C

    Melting point expt.

    • 210 - 213 °C

    Flash point

    • 246.71 ˚C est.

  • Synonyms

    • Marshdine
    • DTXSID501166117
    • 1-Hydroxy-3-methoxy-10-methyl-5,6-methylenedioxyacridone
    • 7-Hydroxy-9-methoxy-11-methyl-1,3-dioxolo[4,5-c]acridin-6(11H)-one
    • 7-Hydroxy-9-methoxy-11-methyl-2H-[1,3]dioxolo[4,5-c]acridin-6(11H)-one
    • 160927-87-7
    • 160927-87-7

  • Applications

    Marshdine (CAS 160927-87-7) is used as a processing aid and specialty solvent in industrial manufacturing and may serve as an intermediate in organic synthesis. In perfumery it may function as a fragrance ingredient or fixative, while in cosmetics and personal care it can be employed as a solvent or formulation additive. In polymers and plastics processing it can act as a processing aid or intermediate in resin formulations. In coatings and inks it may serve as a solvent or formulation component to tune volatility and solvency. In cleaning products it can be employed as a specialty solvent or co-solvent in formulated formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.3
    methanol 0.43
    isopropanol 0.25
    water 0.0
    ethyl acetate 2.1
    n-propanol 0.28
    acetone 3.63
    n-butanol 0.33
    acetonitrile 2.72
    DMF 10.17
    toluene 0.36
    isobutanol 0.33
    1,4-dioxane 3.87
    methyl acetate 2.91
    THF 7.56
    2-butanone 2.91
    n-pentanol 0.48
    sec-butanol 0.24
    n-hexane 0.02
    ethylene glycol 0.67
    NMP 14.78
    cyclohexane 0.04
    DMSO 32.55
    n-butyl acetate 4.34
    n-octanol 1.27
    chloroform 3.42
    n-propyl acetate 3.15
    acetic acid 3.53
    dichloromethane 4.78
    cyclohexanone 8.32
    propylene glycol 0.22
    isopropyl acetate 1.81
    DMAc 20.48
    2-ethoxyethanol 3.46
    isopentanol 0.67
    n-heptane 0.04
    ethyl formate 3.18
    1,2-dichloroethane 4.18
    n-hexanol 0.99
    2-methoxyethanol 5.3
    isobutyl acetate 2.82
    tetrachloromethane 0.61
    n-pentyl acetate 3.88
    transcutol 8.28
    n-heptanol 1.45
    ethylbenzene 0.4
    MIBK 2.28
    2-propoxyethanol 7.48
    tert-butanol 0.68
    MTBE 0.38
    2-butoxyethanol 5.88
    propionic acid 1.19
    o-xylene 0.46
    formic acid 3.66
    diethyl ether 0.32
    m-xylene 0.42
    p-xylene 0.9
    chlorobenzene 1.53
    dimethyl carbonate 3.86
    n-octane 0.04
    formamide 6.72
    cyclopentanone 10.48
    2-pentanone 2.14
    anisole 1.43
    cyclopentyl methyl ether 1.4
    gamma-butyrolactone 14.02
    1-methoxy-2-propanol 2.63
    pyridine 4.94
    3-pentanone 1.7
    furfural 18.54
    n-dodecane 0.08
    diethylene glycol 10.91
    diisopropyl ether 0.19
    tert-amyl alcohol 0.55
    acetylacetone 6.9
    n-hexadecane 0.1
    acetophenone 4.29
    methyl propionate 2.31
    isopentyl acetate 5.03
    trichloroethylene 9.52
    n-nonanol 1.46
    cyclohexanol 0.66
    benzyl alcohol 2.11
    2-ethylhexanol 1.2
    isooctanol 1.47
    dipropyl ether 0.82
    1,2-dichlorobenzene 2.55
    ethyl lactate 2.81
    propylene carbonate 7.48
    n-methylformamide 3.93
    2-pentanol 0.2
    n-pentane 0.01
    1-propoxy-2-propanol 4.18
    1-methoxy-2-propyl acetate 6.42
    2-(2-methoxypropoxy) propanol 6.96
    mesitylene 0.33
    ε-caprolactone 6.87
    p-cymene 1.0
    epichlorohydrin 14.64
    1,1,1-trichloroethane 2.6
    2-aminoethanol 0.58
    morpholine-4-carbaldehyde 16.12
    sulfolane 24.99
    2,2,4-trimethylpentane 0.02
    2-methyltetrahydrofuran 2.29
    n-hexyl acetate 3.87
    isooctane 0.02
    2-(2-butoxyethoxy)ethanol 6.82
    sec-butyl acetate 1.87
    tert-butyl acetate 2.58
    decalin 0.06
    glycerin 1.87
    diglyme 14.37
    acrylic acid 2.43
    isopropyl myristate 2.09
    n-butyric acid 1.87
    acetyl acetate 3.18
    di(2-ethylhexyl) phthalate 3.9
    ethyl propionate 2.5
    nitromethane 15.34
    1,2-diethoxyethane 2.98
    benzonitrile 5.2
    trioctyl phosphate 2.8
    1-bromopropane 0.74
    gamma-valerolactone 19.53
    n-decanol 1.18
    triethyl phosphate 3.99
    4-methyl-2-pentanol 0.38
    propionitrile 1.9
    vinylene carbonate 8.3
    1,1,2-trichlorotrifluoroethane 17.58
    DMS 5.6
    cumene 0.47
    2-octanol 0.86
    2-hexanone 3.24
    octyl acetate 2.86
    limonene 0.99
    1,2-dimethoxyethane 8.68
    ethyl orthosilicate 3.05
    tributyl phosphate 3.44
    diacetone alcohol 4.75
    N,N-dimethylaniline 1.4
    acrylonitrile 4.5
    aniline 1.08
    1,3-propanediol 1.37
    bromobenzene 1.37
    dibromomethane 2.27
    1,1,2,2-tetrachloroethane 6.32
    2-methyl-cyclohexyl acetate 4.76
    tetrabutyl urea 5.4
    diisobutyl methanol 0.9
    2-phenylethanol 4.01
    styrene 0.42
    dioctyl adipate 3.93
    dimethyl sulfate 11.44
    ethyl butyrate 3.34
    methyl lactate 3.22
    butyl lactate 3.83
    diethyl carbonate 3.41
    propanediol butyl ether 3.26
    triethyl orthoformate 2.99
    p-tert-butyltoluene 0.75
    methyl 4-tert-butylbenzoate 6.25
    morpholine 3.7
    tert-butylamine 0.24
    n-dodecanol 0.95
    dimethoxymethane 5.45
    ethylene carbonate 6.46
    cyrene 9.29
    2-ethoxyethyl acetate 6.39
    2-ethylhexyl acetate 4.11
    1,2,4-trichlorobenzene 3.48
    4-methylpyridine 3.72
    dibutyl ether 1.2
    2,6-dimethyl-4-heptanol 0.9
    DEF 4.13
    dimethyl isosorbide 14.09
    tetrachloroethylene 5.06
    eugenol 7.37
    triacetin 5.44
    span 80 4.11
    1,4-butanediol 0.68
    1,1-dichloroethane 1.5
    2-methyl-1-pentanol 0.79
    methyl formate 4.9
    2-methyl-1-butanol 0.43
    n-decane 0.11
    butyronitrile 1.65
    3,7-dimethyl-1-octanol 1.36
    1-chlorooctane 0.72
    1-chlorotetradecane 0.42
    n-nonane 0.07
    undecane 0.09
    tert-butylcyclohexane 0.05
    cyclooctane 0.02
    cyclopentanol 0.8
    tetrahydropyran 1.31
    tert-amyl methyl ether 0.45
    2,5,8-trioxanonane 12.15
    1-hexene 0.09
    2-isopropoxyethanol 2.7
    2,2,2-trifluoroethanol 4.66
    methyl butyrate 3.77

    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