Mansonone D

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  • Identifiers

    CAS number
    5090-86-8

    Molecular formula
    C15H14O3

    SMILES
    CC1COC2=C1C3=C(C(=C2)C)C(=O)C(=O)C(=C3)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 60.95%
    Caramellic 39.47%
    Powdery 36.72%
    Burnt 33.64%
    Phenolic 32.57%
    Woody 31.88%
    Spicy 29.28%
    Vanilla 27.55%
    Coumarinic 26.86%
    Dry 26.44%

     

    Flavor
    Bitter 79.68%
    Lovage 20.64%
    Parsley 19.72%
    Basil 19.54%
    Cedarleaf 19.49%
    Ripe apricot 19.32%
    Fenugreek 19.28%
    Red fruit 19.21%
    Nitrile 19.0%
    Leaves 18.97%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    6.54 (neutral)

    Molecular weight
    242.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    501°C

    Flash point

    • 195.88 ˚C est.

  • Synonyms

    • Mansonone D
    • mansonone-D
    • RefChem:925297
    • 5090-86-8
    • 1,5,8-trimethyl-1,2-dihydrobenzo[e][1]benzofuran-6,7-dione
    • Naphtho(2,1-b)furan-6,7-dione, 1,2-dihydro-1,5,8-triemthyl-
    • CHEMBL513280
    • SCHEMBL9863906
    • SCHEMBL31237981
    • LTOSSAVPMIKCBC-UHFFFAOYSA-
    • DTXSID80965143
    • 1,5,8-Trimethyl-1,2-dihydronaphtho[2,1-b]furan-6,7-dione
    • InChI=1/C15H14O3/c1-7-5-11-12(9(3)6-18-11)10-4-8(2)14(16)15(17)13(7)10/h4-5,9H,6H2,1-3H3
    • 5090-86-8

  • Applications

    Mansonone D (CAS 5090-86-8) is a fragrance-related compound considered for use in perfumery as an odorant and potential fragrance fixative; it may also serve as an intermediate in organic synthesis and could appear in cosmetics/personal care formulations as a fragrance ingredient; in household products such as cleaners and air fresheners, it can act as a scent component; in industrial manufacturing and polymer/plastic formulations, it can be explored as a stabilizer or processing aid in certain formulations; overall, its use is typically subject to formulation requirements and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.6
    methanol 13.24
    isopropanol 12.91
    water 0.05
    ethyl acetate 45.53
    n-propanol 16.99
    acetone 63.9
    n-butanol 17.87
    acetonitrile 33.01
    DMF 128.5
    toluene 73.76
    isobutanol 14.96
    1,4-dioxane 92.12
    methyl acetate 66.04
    THF 102.91
    2-butanone 80.76
    n-pentanol 21.78
    sec-butanol 14.27
    n-hexane 1.05
    ethylene glycol 6.54
    NMP 184.46
    cyclohexane 3.53
    DMSO 53.81
    n-butyl acetate 56.62
    n-octanol 20.03
    chloroform 209.46
    n-propyl acetate 51.98
    acetic acid 32.3
    dichloromethane 215.52
    cyclohexanone 155.15
    propylene glycol 6.11
    isopropyl acetate 34.42
    DMAc 121.34
    2-ethoxyethanol 37.54
    isopentanol 20.56
    n-heptane 1.58
    ethyl formate 55.38
    1,2-dichloroethane 120.58
    n-hexanol 28.29
    2-methoxyethanol 42.13
    isobutyl acetate 42.62
    tetrachloromethane 30.32
    n-pentyl acetate 56.98
    transcutol 60.12
    n-heptanol 23.5
    ethylbenzene 37.63
    MIBK 37.27
    2-propoxyethanol 58.84
    tert-butanol 16.84
    MTBE 15.16
    2-butoxyethanol 47.29
    propionic acid 32.69
    o-xylene 48.98
    formic acid 11.54
    diethyl ether 16.86
    m-xylene 49.75
    p-xylene 55.21
    chlorobenzene 112.12
    dimethyl carbonate 42.01
    n-octane 1.62
    formamide 25.33
    cyclopentanone 154.77
    2-pentanone 52.32
    anisole 61.39
    cyclopentyl methyl ether 46.15
    gamma-butyrolactone 168.44
    1-methoxy-2-propanol 32.8
    pyridine 166.53
    3-pentanone 47.55
    furfural 191.88
    n-dodecane 2.17
    diethylene glycol 46.29
    diisopropyl ether 8.39
    tert-amyl alcohol 16.39
    acetylacetone 70.57
    n-hexadecane 2.66
    acetophenone 90.64
    methyl propionate 51.68
    isopentyl acetate 55.97
    trichloroethylene 294.71
    n-nonanol 20.4
    cyclohexanol 30.14
    benzyl alcohol 71.3
    2-ethylhexanol 24.7
    isooctanol 21.62
    dipropyl ether 15.49
    1,2-dichlorobenzene 101.57
    ethyl lactate 32.45
    propylene carbonate 108.13
    n-methylformamide 52.56
    2-pentanol 11.77
    n-pentane 1.14
    1-propoxy-2-propanol 36.84
    1-methoxy-2-propyl acetate 60.23
    2-(2-methoxypropoxy) propanol 46.85
    mesitylene 26.44
    ε-caprolactone 131.92
    p-cymene 27.7
    epichlorohydrin 177.32
    1,1,1-trichloroethane 99.94
    2-aminoethanol 11.48
    morpholine-4-carbaldehyde 156.04
    sulfolane 161.86
    2,2,4-trimethylpentane 1.64
    2-methyltetrahydrofuran 72.06
    n-hexyl acetate 62.29
    isooctane 1.32
    2-(2-butoxyethoxy)ethanol 50.23
    sec-butyl acetate 35.37
    tert-butyl acetate 36.81
    decalin 4.32
    glycerin 14.29
    diglyme 93.76
    acrylic acid 41.88
    isopropyl myristate 27.56
    n-butyric acid 42.35
    acetyl acetate 40.46
    di(2-ethylhexyl) phthalate 40.48
    ethyl propionate 41.61
    nitromethane 79.2
    1,2-diethoxyethane 38.09
    benzonitrile 107.56
    trioctyl phosphate 27.03
    1-bromopropane 41.25
    gamma-valerolactone 196.9
    n-decanol 16.15
    triethyl phosphate 32.73
    4-methyl-2-pentanol 11.55
    propionitrile 34.71
    vinylene carbonate 120.25
    1,1,2-trichlorotrifluoroethane 105.02
    DMS 71.76
    cumene 26.62
    2-octanol 18.98
    2-hexanone 52.12
    octyl acetate 36.24
    limonene 28.87
    1,2-dimethoxyethane 68.69
    ethyl orthosilicate 29.48
    tributyl phosphate 29.97
    diacetone alcohol 44.82
    N,N-dimethylaniline 45.35
    acrylonitrile 60.32
    aniline 70.22
    1,3-propanediol 18.8
    bromobenzene 122.48
    dibromomethane 118.08
    1,1,2,2-tetrachloroethane 174.8
    2-methyl-cyclohexyl acetate 55.53
    tetrabutyl urea 41.48
    diisobutyl methanol 14.37
    2-phenylethanol 76.21
    styrene 44.46
    dioctyl adipate 42.13
    dimethyl sulfate 67.28
    ethyl butyrate 42.44
    methyl lactate 31.08
    butyl lactate 43.25
    diethyl carbonate 36.83
    propanediol butyl ether 33.7
    triethyl orthoformate 33.77
    p-tert-butyltoluene 23.35
    methyl 4-tert-butylbenzoate 69.12
    morpholine 81.54
    tert-butylamine 9.67
    n-dodecanol 13.24
    dimethoxymethane 61.05
    ethylene carbonate 89.51
    cyrene 82.21
    2-ethoxyethyl acetate 74.14
    2-ethylhexyl acetate 50.46
    1,2,4-trichlorobenzene 129.19
    4-methylpyridine 154.56
    dibutyl ether 17.55
    2,6-dimethyl-4-heptanol 14.37
    DEF 68.07
    dimethyl isosorbide 95.05
    tetrachloroethylene 129.05
    eugenol 72.99
    triacetin 67.62
    span 80 40.61
    1,4-butanediol 13.73
    1,1-dichloroethane 88.74
    2-methyl-1-pentanol 26.59
    methyl formate 58.49
    2-methyl-1-butanol 19.3
    n-decane 3.07
    butyronitrile 36.54
    3,7-dimethyl-1-octanol 20.46
    1-chlorooctane 17.62
    1-chlorotetradecane 8.89
    n-nonane 2.4
    undecane 2.51
    tert-butylcyclohexane 3.54
    cyclooctane 1.56
    cyclopentanol 32.81
    tetrahydropyran 56.55
    tert-amyl methyl ether 15.65
    2,5,8-trioxanonane 69.98
    1-hexene 6.93
    2-isopropoxyethanol 35.77
    2,2,2-trifluoroethanol 25.24
    methyl butyrate 57.77

    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