Mansonone C

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  • Identifiers

    CAS number
    5574-34-5

    Molecular formula
    C15H16O2

    SMILES
    CC1=C2C(=C(C=C1)C(C)C)C=C(C(=O)C2=O)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 50.49%
    Spicy 43.77%
    Herbal 40.91%
    Woody 40.78%
    Phenolic 40.56%
    Dry 35.69%
    Mint 32.02%
    Tobacco 29.71%
    Powdery 29.04%
    Caramellic 26.6%

     

    Flavor
    Bitter 59.15%
    Herbal 21.94%
    Lovage 21.75%
    Basil 20.73%
    Cedarleaf 19.89%
    Parsley 19.78%
    Leaves 19.7%
    Red fruit 19.51%
    Ripe apricot 19.42%
    Outdoor 19.38%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    7.1 (neutral)

    Molecular weight
    228.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    387°C

    Flash point

    • 150.51 ˚C est.

  • Synonyms

    • Mansonone C
    • 5574-34-5
    • 3,8-dimethyl-5-propan-2-ylnaphthalene-1,2-dione
    • 5-isopropyl-3,8-dimethyl-naphthalene-1,2-dione
    • RefChem:155707
    • 1,2-Naphthalenedione, 3,8-dimethyl-5-(1-methylethyl)-
    • CHEMBL508283
    • AC1L2IZM
    • Mansonone O
    • 1,2-Naphthoquinone, 5-isopropyl-3,8-dimethyl-
    • 3,8-Dimethyl-5-isopropyl-1,2-naphthalenedione
    • SureCN9863621
    • CHEBI:6689
    • SCHEMBL9863621
    • DTXSID80204286
    • GREWJSSEUGRGIT-UHFFFAOYSA-N
    • 5-Isopropyl-3,8-dimethyl-1,2-naphthalenedione #
    • 3,8-dimethyl-5-(propan-2-yl)naphthalene-1,2-dione
    • Q27107297
    • 5574-34-5

  • Applications

    Mansonone C (CAS 5574-34-5) is primarily used as a chemical intermediate in organic synthesis and, in fragrance chemistry, may be evaluated as an odorant or specialty fragrance ingredient. It can see applications in cosmetics and personal care formulations, and as a specialty additive or modifier in coatings, inks, and polymer systems. In research and development settings, it is employed as a reference compound or building block for further synthetic work. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 53.05
    methanol 35.6
    isopropanol 47.23
    water 0.03
    ethyl acetate 127.96
    n-propanol 67.25
    acetone 195.15
    n-butanol 69.81
    acetonitrile 96.84
    DMF 503.92
    toluene 320.5
    isobutanol 56.22
    1,4-dioxane 299.01
    methyl acetate 188.28
    THF 415.46
    2-butanone 250.71
    n-pentanol 60.89
    sec-butanol 60.46
    n-hexane 7.96
    ethylene glycol 7.74
    NMP 569.59
    cyclohexane 22.3
    DMSO 109.01
    n-butyl acetate 138.79
    n-octanol 41.32
    chloroform 602.91
    n-propyl acetate 106.14
    acetic acid 51.09
    dichloromethane 684.43
    cyclohexanone 466.98
    propylene glycol 14.19
    isopropyl acetate 81.2
    DMAc 347.32
    2-ethoxyethanol 66.31
    isopentanol 62.15
    n-heptane 7.5
    ethyl formate 111.95
    1,2-dichloroethane 410.5
    n-hexanol 86.88
    2-methoxyethanol 93.03
    isobutyl acetate 76.06
    tetrachloromethane 76.06
    n-pentyl acetate 112.38
    transcutol 116.19
    n-heptanol 50.79
    ethylbenzene 117.27
    MIBK 94.53
    2-propoxyethanol 115.23
    tert-butanol 56.24
    MTBE 79.46
    2-butoxyethanol 76.95
    propionic acid 67.33
    o-xylene 156.58
    formic acid 11.98
    diethyl ether 89.95
    m-xylene 169.65
    p-xylene 149.42
    chlorobenzene 309.69
    dimethyl carbonate 83.79
    n-octane 5.41
    formamide 36.87
    cyclopentanone 509.62
    2-pentanone 169.91
    anisole 164.36
    cyclopentyl methyl ether 180.34
    gamma-butyrolactone 426.23
    1-methoxy-2-propanol 79.63
    pyridine 560.14
    3-pentanone 152.05
    furfural 408.33
    n-dodecane 4.52
    diethylene glycol 58.78
    diisopropyl ether 28.93
    tert-amyl alcohol 62.4
    acetylacetone 168.45
    n-hexadecane 5.57
    acetophenone 181.93
    methyl propionate 142.92
    isopentyl acetate 131.62
    trichloroethylene 962.68
    n-nonanol 40.35
    cyclohexanol 106.79
    benzyl alcohol 154.02
    2-ethylhexanol 62.77
    isooctanol 42.58
    dipropyl ether 52.41
    1,2-dichlorobenzene 244.11
    ethyl lactate 45.61
    propylene carbonate 210.78
    n-methylformamide 144.19
    2-pentanol 45.44
    n-pentane 7.8
    1-propoxy-2-propanol 81.86
    1-methoxy-2-propyl acetate 119.84
    2-(2-methoxypropoxy) propanol 66.75
    mesitylene 79.52
    ε-caprolactone 324.56
    p-cymene 65.15
    epichlorohydrin 544.22
    1,1,1-trichloroethane 314.13
    2-aminoethanol 21.5
    morpholine-4-carbaldehyde 368.07
    sulfolane 367.61
    2,2,4-trimethylpentane 7.0
    2-methyltetrahydrofuran 300.5
    n-hexyl acetate 125.65
    isooctane 5.08
    2-(2-butoxyethoxy)ethanol 79.88
    sec-butyl acetate 72.67
    tert-butyl acetate 88.4
    decalin 16.03
    glycerin 18.27
    diglyme 167.64
    acrylic acid 67.76
    isopropyl myristate 45.36
    n-butyric acid 91.17
    acetyl acetate 81.04
    di(2-ethylhexyl) phthalate 55.72
    ethyl propionate 90.69
    nitromethane 172.6
    1,2-diethoxyethane 87.46
    benzonitrile 224.88
    trioctyl phosphate 36.7
    1-bromopropane 178.4
    gamma-valerolactone 526.23
    n-decanol 29.98
    triethyl phosphate 50.99
    4-methyl-2-pentanol 29.84
    propionitrile 105.4
    vinylene carbonate 215.18
    1,1,2-trichlorotrifluoroethane 203.25
    DMS 123.04
    cumene 67.03
    2-octanol 41.09
    2-hexanone 129.05
    octyl acetate 62.04
    limonene 78.66
    1,2-dimethoxyethane 160.11
    ethyl orthosilicate 48.52
    tributyl phosphate 41.43
    diacetone alcohol 96.19
    N,N-dimethylaniline 109.18
    acrylonitrile 157.29
    aniline 220.19
    1,3-propanediol 39.32
    bromobenzene 355.44
    dibromomethane 394.2
    1,1,2,2-tetrachloroethane 546.61
    2-methyl-cyclohexyl acetate 99.41
    tetrabutyl urea 63.26
    diisobutyl methanol 32.64
    2-phenylethanol 160.3
    styrene 140.06
    dioctyl adipate 66.27
    dimethyl sulfate 122.8
    ethyl butyrate 96.87
    methyl lactate 50.41
    butyl lactate 68.9
    diethyl carbonate 64.42
    propanediol butyl ether 57.18
    triethyl orthoformate 62.13
    p-tert-butyltoluene 58.55
    methyl 4-tert-butylbenzoate 118.83
    morpholine 325.72
    tert-butylamine 37.18
    n-dodecanol 22.57
    dimethoxymethane 177.47
    ethylene carbonate 157.6
    cyrene 122.57
    2-ethoxyethyl acetate 137.62
    2-ethylhexyl acetate 115.34
    1,2,4-trichlorobenzene 295.32
    4-methylpyridine 551.67
    dibutyl ether 47.73
    2,6-dimethyl-4-heptanol 32.64
    DEF 215.16
    dimethyl isosorbide 172.73
    tetrachloroethylene 330.13
    eugenol 108.33
    triacetin 102.81
    span 80 64.63
    1,4-butanediol 22.21
    1,1-dichloroethane 316.98
    2-methyl-1-pentanol 68.99
    methyl formate 128.49
    2-methyl-1-butanol 69.81
    n-decane 7.56
    butyronitrile 115.27
    3,7-dimethyl-1-octanol 41.61
    1-chlorooctane 43.17
    1-chlorotetradecane 17.05
    n-nonane 6.73
    undecane 5.68
    tert-butylcyclohexane 13.56
    cyclooctane 7.92
    cyclopentanol 114.96
    tetrahydropyran 281.96
    tert-amyl methyl ether 70.54
    2,5,8-trioxanonane 109.96
    1-hexene 39.01
    2-isopropoxyethanol 59.01
    2,2,2-trifluoroethanol 28.68
    methyl butyrate 131.84

    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