Mansonone E

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  • Identifiers

    CAS number
    5090-87-9

    Molecular formula
    C15H14O3

    SMILES
    CC1COC2=C(C(=O)C(=O)C3=C(C=CC1=C32)C)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 60.56%
    Caramellic 41.45%
    Burnt 34.54%
    Powdery 34.45%
    Phenolic 31.86%
    Coumarinic 31.59%
    Hay 28.53%
    Tobacco 26.43%
    Creamy 25.71%
    Vanilla 25.07%

     

    Flavor
    Bitter 76.26%
    Lovage 21.09%
    Parsley 19.89%
    Ripe apricot 19.65%
    Basil 19.6%
    Red fruit 19.59%
    Cedarleaf 19.42%
    Fenugreek 19.37%
    Nitrile 19.14%
    Leaves 19.09%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    6.35 (neutral)

    Molecular weight
    242.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    532°C

    Flash point

    • 187.58 ˚C est.

  • Synonyms

    • Mansonone E
    • 5090-87-9
    • 4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8-tetraene-10,11-dione
    • 4,8,12-trimethyl-2-oxatricyclo(7.3.1.05,13)trideca-1(12),5(13),6,8-tetraene-10,11-dione
    • RefChem:155708
    • 3,6,9-Trimethyl-2,3-dihydrobenzo[de]chromene-7,8-dione
    • 2,3-Dihydro-3,6,9-trimethylnaphtho[1,8-bc]pyran-7,8-dione
    • Naphtho(1,8-bc)pyran-7,8-dione, 2,3-dihydro-3,6,9-trimethyl-
    • Naphtho[1,8-bc]pyran-7,8-dione, 2,3-dihydro-3,6,9-trimethyl-
    • CHEMBL362672
    • SCHEMBL7755715
    • SCHEMBL30656080
    • DTXSID40965144
    • SYWTYRLIJCHSLJ-UHFFFAOYSA-N
    • BDBM50493328
    • 3,6,9-Trimethyl-2,3-dihydrobenzo[de]chromene-7,8-dione #
    • 3,6,9-Trimethyl-2,3-dihydronaphtho[1,8-bc]pyran-7,8-dione
    • 5090-87-9

  • Applications

    Mansonone E (CAS 5090-87-9) has real-world applications across several industries, typically used as an odorant and fragrance component with potential fixative notes in perfumery and cosmetics; it can serve as a fragrance ingredient in household products such as air fresheners and cleaners; it is commonly evaluated as an intermediate in organic synthesis for chemical manufacturing; it may act as an antioxidant or stabilizer in polymer formulations; and it is sometimes used as an aroma additive in coatings and inks. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5.7
    methanol 4.03
    isopropanol 4.08
    water 0.02
    ethyl acetate 13.5
    n-propanol 5.61
    acetone 21.48
    n-butanol 5.54
    acetonitrile 8.46
    DMF 57.07
    toluene 33.37
    isobutanol 5.01
    1,4-dioxane 31.56
    methyl acetate 21.51
    THF 34.16
    2-butanone 30.44
    n-pentanol 6.87
    sec-butanol 4.02
    n-hexane 0.25
    ethylene glycol 2.21
    NMP 91.53
    cyclohexane 1.07
    DMSO 22.14
    n-butyl acetate 23.96
    n-octanol 7.45
    chloroform 73.1
    n-propyl acetate 18.44
    acetic acid 10.5
    dichloromethane 78.86
    cyclohexanone 68.16
    propylene glycol 1.72
    isopropyl acetate 11.87
    DMAc 63.02
    2-ethoxyethanol 12.94
    isopentanol 7.0
    n-heptane 0.4
    ethyl formate 21.07
    1,2-dichloroethane 49.0
    n-hexanol 10.64
    2-methoxyethanol 15.44
    isobutyl acetate 16.37
    tetrachloromethane 9.66
    n-pentyl acetate 25.57
    transcutol 21.58
    n-heptanol 9.56
    ethylbenzene 16.59
    MIBK 14.51
    2-propoxyethanol 23.16
    tert-butanol 5.08
    MTBE 4.17
    2-butoxyethanol 20.03
    propionic acid 9.79
    o-xylene 23.15
    formic acid 4.14
    diethyl ether 4.3
    m-xylene 20.43
    p-xylene 25.84
    chlorobenzene 52.59
    dimethyl carbonate 13.91
    n-octane 0.48
    formamide 9.05
    cyclopentanone 67.11
    2-pentanone 18.51
    anisole 24.87
    cyclopentyl methyl ether 14.34
    gamma-butyrolactone 69.17
    1-methoxy-2-propanol 10.36
    pyridine 84.82
    3-pentanone 16.29
    furfural 102.75
    n-dodecane 0.73
    diethylene glycol 19.03
    diisopropyl ether 2.29
    tert-amyl alcohol 4.81
    acetylacetone 28.14
    n-hexadecane 0.92
    acetophenone 44.67
    methyl propionate 15.53
    isopentyl acetate 26.07
    trichloroethylene 131.56
    n-nonanol 7.98
    cyclohexanol 9.34
    benzyl alcohol 33.02
    2-ethylhexanol 9.67
    isooctanol 8.81
    dipropyl ether 4.48
    1,2-dichlorobenzene 53.09
    ethyl lactate 11.25
    propylene carbonate 43.8
    n-methylformamide 19.12
    2-pentanol 2.99
    n-pentane 0.24
    1-propoxy-2-propanol 13.34
    1-methoxy-2-propyl acetate 24.07
    2-(2-methoxypropoxy) propanol 19.7
    mesitylene 11.36
    ε-caprolactone 55.7
    p-cymene 13.98
    epichlorohydrin 77.99
    1,1,1-trichloroethane 36.06
    2-aminoethanol 3.93
    morpholine-4-carbaldehyde 69.42
    sulfolane 67.37
    2,2,4-trimethylpentane 0.41
    2-methyltetrahydrofuran 23.85
    n-hexyl acetate 24.64
    isooctane 0.34
    2-(2-butoxyethoxy)ethanol 20.37
    sec-butyl acetate 12.87
    tert-butyl acetate 13.41
    decalin 1.5
    glycerin 4.34
    diglyme 41.95
    acrylic acid 13.07
    isopropyl myristate 11.18
    n-butyric acid 14.35
    acetyl acetate 14.4
    di(2-ethylhexyl) phthalate 21.0
    ethyl propionate 13.64
    nitromethane 26.17
    1,2-diethoxyethane 14.7
    benzonitrile 54.98
    trioctyl phosphate 12.04
    1-bromopropane 13.6
    gamma-valerolactone 95.14
    n-decanol 6.2
    triethyl phosphate 14.42
    4-methyl-2-pentanol 3.31
    propionitrile 10.81
    vinylene carbonate 55.73
    1,1,2-trichlorotrifluoroethane 46.92
    DMS 28.71
    cumene 12.54
    2-octanol 7.22
    2-hexanone 20.4
    octyl acetate 14.42
    limonene 12.93
    1,2-dimethoxyethane 26.29
    ethyl orthosilicate 12.79
    tributyl phosphate 13.33
    diacetone alcohol 17.66
    N,N-dimethylaniline 20.69
    acrylonitrile 21.22
    aniline 28.74
    1,3-propanediol 6.76
    bromobenzene 56.91
    dibromomethane 38.82
    1,1,2,2-tetrachloroethane 75.6
    2-methyl-cyclohexyl acetate 25.59
    tetrabutyl urea 21.41
    diisobutyl methanol 5.46
    2-phenylethanol 41.62
    styrene 18.64
    dioctyl adipate 18.64
    dimethyl sulfate 24.33
    ethyl butyrate 16.55
    methyl lactate 10.22
    butyl lactate 17.8
    diethyl carbonate 15.15
    propanediol butyl ether 12.94
    triethyl orthoformate 13.44
    p-tert-butyltoluene 11.23
    methyl 4-tert-butylbenzoate 36.23
    morpholine 30.02
    tert-butylamine 2.74
    n-dodecanol 4.92
    dimethoxymethane 20.25
    ethylene carbonate 38.07
    cyrene 38.8
    2-ethoxyethyl acetate 32.75
    2-ethylhexyl acetate 23.46
    1,2,4-trichlorobenzene 66.82
    4-methylpyridine 74.16
    dibutyl ether 6.16
    2,6-dimethyl-4-heptanol 5.46
    DEF 27.12
    dimethyl isosorbide 47.28
    tetrachloroethylene 58.23
    eugenol 37.9
    triacetin 26.96
    span 80 17.4
    1,4-butanediol 4.89
    1,1-dichloroethane 28.49
    2-methyl-1-pentanol 9.22
    methyl formate 20.81
    2-methyl-1-butanol 6.25
    n-decane 1.01
    butyronitrile 11.68
    3,7-dimethyl-1-octanol 7.92
    1-chlorooctane 6.38
    1-chlorotetradecane 3.44
    n-nonane 0.73
    undecane 0.84
    tert-butylcyclohexane 1.15
    cyclooctane 0.44
    cyclopentanol 10.56
    tetrahydropyran 20.03
    tert-amyl methyl ether 4.33
    2,5,8-trioxanonane 32.74
    1-hexene 1.97
    2-isopropoxyethanol 11.86
    2,2,2-trifluoroethanol 8.1
    methyl butyrate 21.3

    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