Mansonone F

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  • Identifiers

    CAS number
    5090-88-0

    Molecular formula
    C15H12O3

    SMILES
    CC1=C2C3=C(C=C1)C(=COC3=C(C(=O)C2=O)C)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 59.77%
    Caramellic 42.28%
    Burnt 35.92%
    Phenolic 32.29%
    Powdery 31.28%
    Coumarinic 29.81%
    Hay 27.37%
    Spicy 26.9%
    Tobacco 26.7%
    Roasted 26.27%

     

    Flavor
    Bitter 71.64%
    Lovage 20.84%
    Basil 19.93%
    Parsley 19.34%
    Fenugreek 19.3%
    Very strong 19.29%
    Nitrile 19.26%
    Red fruit 19.26%
    Ripe apricot 19.19%
    Cedarleaf 19.13%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.1 (neutral)

    Molecular weight
    240.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    464°C

    Flash point

    • 193.43 ˚C est.

  • Synonyms

    • Mansonone F
    • 5090-88-0
    • BZI06H42QB
    • 3,6,9-trimethylnaphtho[1,8-bc]pyran-7,8-dione
    • NSC-113136
    • 3,6,9-Trimethylnaphtho(1,8-bc)pyran-7,8-dione
    • 4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8-pentaene-10,11-dione
    • 4,8,12-trimethyl-2-oxatricyclo(7.3.1.05,13)trideca-1(12),3,5(13),6,8-pentaene-10,11-dione
    • RefChem:925298
    • Naphtho[1,8-bc]pyran-7,8-dione, 3,6,9-trimethyl-
    • Naphtho(1,8-bc)pyran-7,8-dione, 3,6,9-trimethyl-
    • NSC 113136
    • UNII-BZI06H42QB
    • CHEMBL197655
    • orb1701958
    • SCHEMBL3397051
    • WSRLWSPFIOAYST-UHFFFAOYSA-
    • DTXSID20198933
    • WSRLWSPFIOAYST-UHFFFAOYSA-N
    • Naphtho(1,8-bc)pyran-7,8-dione, 3,6,9-trimethyl- (8CI)(9CI)
    • NSC113136
    • AKOS040747135
    • Naphtho[1,8-dione, 3,6,9-trimethyl-
    • NCI60_000295
    • DS-001066
    • HY-119528
    • CS-0068663
    • 3,6,9-Trimethylbenzo[de]chromene-7,8-dione
    • 3,6,9-Trimethylbenzo[de]chromene-7,8-dione #
    • InChI=1/C15H12O3/c1-7-4-5-10-8(2)6-18-15-9(3)13(16)14(17)11(7)12(10)15/h4-6H,1-3H3
    • 5090-88-0

  • Applications

    Mansonone F (CAS 5090-88-0) is a chemical of interest for industrial applications related to fragrances and specialty chemicals. In practice, it can be used as an odorant or fixative in fragrance formulations and cosmetics; it is also evaluated as an intermediate in organic synthesis for specialty compounds. In the polymers/plastics area, it may function as a stabilizer or antioxidant additive in certain plastic and rubber systems. It is additionally evaluated for agricultural uses with potential antimicrobial or bioactive properties. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2.89
    methanol 1.89
    isopropanol 2.15
    water 0.01
    ethyl acetate 9.43
    n-propanol 3.06
    acetone 13.11
    n-butanol 2.95
    acetonitrile 5.83
    DMF 36.92
    toluene 23.06
    isobutanol 2.67
    1,4-dioxane 20.72
    methyl acetate 14.23
    THF 24.43
    2-butanone 18.69
    n-pentanol 4.17
    sec-butanol 2.37
    n-hexane 0.23
    ethylene glycol 0.93
    NMP 64.63
    cyclohexane 0.84
    DMSO 12.59
    n-butyl acetate 18.8
    n-octanol 5.81
    chloroform 38.67
    n-propyl acetate 13.02
    acetic acid 5.5
    dichloromethane 42.68
    cyclohexanone 40.83
    propylene glycol 0.79
    isopropyl acetate 8.11
    DMAc 48.73
    2-ethoxyethanol 8.19
    isopentanol 3.84
    n-heptane 0.4
    ethyl formate 12.56
    1,2-dichloroethane 28.57
    n-hexanol 6.92
    2-methoxyethanol 8.8
    isobutyl acetate 11.43
    tetrachloromethane 5.74
    n-pentyl acetate 20.36
    transcutol 15.69
    n-heptanol 6.8
    ethylbenzene 13.78
    MIBK 9.94
    2-propoxyethanol 15.09
    tert-butanol 3.06
    MTBE 3.23
    2-butoxyethanol 14.42
    propionic acid 5.09
    o-xylene 17.03
    formic acid 2.07
    diethyl ether 3.32
    m-xylene 15.18
    p-xylene 21.33
    chlorobenzene 32.97
    dimethyl carbonate 9.72
    n-octane 0.49
    formamide 5.12
    cyclopentanone 41.68
    2-pentanone 12.06
    anisole 20.11
    cyclopentyl methyl ether 10.64
    gamma-butyrolactone 43.16
    1-methoxy-2-propanol 6.01
    pyridine 58.79
    3-pentanone 11.59
    furfural 64.93
    n-dodecane 0.75
    diethylene glycol 10.66
    diisopropyl ether 1.82
    tert-amyl alcohol 3.12
    acetylacetone 18.96
    n-hexadecane 0.95
    acetophenone 35.6
    methyl propionate 10.87
    isopentyl acetate 20.04
    trichloroethylene 74.26
    n-nonanol 6.42
    cyclohexanol 5.34
    benzyl alcohol 20.84
    2-ethylhexanol 7.22
    isooctanol 6.37
    dipropyl ether 3.95
    1,2-dichlorobenzene 34.18
    ethyl lactate 7.18
    propylene carbonate 27.15
    n-methylformamide 11.18
    2-pentanol 1.8
    n-pentane 0.19
    1-propoxy-2-propanol 9.2
    1-methoxy-2-propyl acetate 17.95
    2-(2-methoxypropoxy) propanol 14.68
    mesitylene 8.91
    ε-caprolactone 34.95
    p-cymene 11.48
    epichlorohydrin 47.68
    1,1,1-trichloroethane 22.28
    2-aminoethanol 1.96
    morpholine-4-carbaldehyde 49.42
    sulfolane 42.94
    2,2,4-trimethylpentane 0.33
    2-methyltetrahydrofuran 17.3
    n-hexyl acetate 20.23
    isooctane 0.26
    2-(2-butoxyethoxy)ethanol 15.29
    sec-butyl acetate 9.11
    tert-butyl acetate 10.05
    decalin 1.35
    glycerin 2.03
    diglyme 33.13
    acrylic acid 6.68
    isopropyl myristate 9.26
    n-butyric acid 7.28
    acetyl acetate 9.21
    di(2-ethylhexyl) phthalate 15.55
    ethyl propionate 9.98
    nitromethane 15.34
    1,2-diethoxyethane 12.01
    benzonitrile 35.93
    trioctyl phosphate 8.94
    1-bromopropane 9.12
    gamma-valerolactone 62.3
    n-decanol 5.07
    triethyl phosphate 11.2
    4-methyl-2-pentanol 2.07
    propionitrile 7.01
    vinylene carbonate 33.29
    1,1,2-trichlorotrifluoroethane 27.02
    DMS 21.65
    cumene 10.23
    2-octanol 5.43
    2-hexanone 14.92
    octyl acetate 11.88
    limonene 10.49
    1,2-dimethoxyethane 20.1
    ethyl orthosilicate 9.94
    tributyl phosphate 10.26
    diacetone alcohol 11.68
    N,N-dimethylaniline 17.47
    acrylonitrile 13.28
    aniline 17.0
    1,3-propanediol 3.44
    bromobenzene 37.24
    dibromomethane 22.39
    1,1,2,2-tetrachloroethane 43.91
    2-methyl-cyclohexyl acetate 20.18
    tetrabutyl urea 17.71
    diisobutyl methanol 4.17
    2-phenylethanol 29.33
    styrene 14.51
    dioctyl adipate 14.77
    dimethyl sulfate 16.67
    ethyl butyrate 12.77
    methyl lactate 6.1
    butyl lactate 12.54
    diethyl carbonate 11.59
    propanediol butyl ether 8.76
    triethyl orthoformate 10.68
    p-tert-butyltoluene 9.35
    methyl 4-tert-butylbenzoate 27.95
    morpholine 19.59
    tert-butylamine 1.73
    n-dodecanol 4.05
    dimethoxymethane 14.2
    ethylene carbonate 22.42
    cyrene 26.79
    2-ethoxyethyl acetate 24.59
    2-ethylhexyl acetate 18.57
    1,2,4-trichlorobenzene 43.84
    4-methylpyridine 53.11
    dibutyl ether 5.92
    2,6-dimethyl-4-heptanol 4.17
    DEF 20.69
    dimethyl isosorbide 37.8
    tetrachloroethylene 33.55
    eugenol 28.52
    triacetin 20.17
    span 80 12.4
    1,4-butanediol 2.47
    1,1-dichloroethane 16.23
    2-methyl-1-pentanol 5.64
    methyl formate 11.97
    2-methyl-1-butanol 3.47
    n-decane 1.07
    butyronitrile 7.37
    3,7-dimethyl-1-octanol 5.95
    1-chlorooctane 5.65
    1-chlorotetradecane 2.93
    n-nonane 0.78
    undecane 0.88
    tert-butylcyclohexane 1.05
    cyclooctane 0.39
    cyclopentanol 6.21
    tetrahydropyran 13.47
    tert-amyl methyl ether 3.59
    2,5,8-trioxanonane 25.91
    1-hexene 1.66
    2-isopropoxyethanol 7.57
    2,2,2-trifluoroethanol 4.1
    methyl butyrate 15.52

    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