Stahlianthusone

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  • Identifiers

    CAS number
    87018-26-6

    Molecular formula
    C15H16O2

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

    Safety labels

  • Odor profile

    Fragrance
    Sweet 49.52%
    Spicy 43.27%
    Herbal 42.52%
    Phenolic 40.94%
    Woody 40.64%
    Mint 38.63%
    Dry 35.53%
    Tobacco 33.14%
    Powdery 27.8%
    Hay 27.18%

     

    Flavor
    Bitter 61.09%
    Lovage 21.68%
    Basil 20.73%
    Herbal 20.65%
    Cedarleaf 20.08%
    Leaves 19.61%
    Parsley 19.56%
    Red fruit 19.38%
    Ripe apricot 19.36%
    Nitrile 19.09%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.53 (neutral)

    Molecular weight
    228.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    416°C

    Flash point

    • 155.19 ˚C est.

  • Synonyms

    • Stahlianthusone
    • 1,6-Dimethyl-4-isopropyl-5,8-naphthoquinone
    • 87018-26-6
    • DTXSID30236077
    • 2,5-dimethyl-8-propan-2-ylnaphthalene-1,4-dione
    • 1,4-Naphthalenedione, 2,5-dimethyl-8-(1-methylethyl)-
    • RefChem:185321
    • DTXCID30158568
    • SCHEMBL27942018
    • 2,5-Dimethyl-8-(propan-2-yl)naphthalene-1,4-dione
    • 87018-26-6

  • Applications

    Stahlianthusone (CAS 87018-26-6) is commonly used as a fragrance component and fixative in perfumery, and may be incorporated into cosmetics and personal care formulations as a solvent or intermediate for synthetic derivatives. It is also evaluated for use in household cleaning products and other consumer formulations, and can function as a processing aid or stabilizer in industrial manufacturing. In the plastics and coatings/inks sectors, Stahlianthusone can serve as a functional additive to improve processing characteristics and performance. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 47.07
    methanol 32.46
    isopropanol 44.71
    water 0.09
    ethyl acetate 81.19
    n-propanol 57.04
    acetone 135.58
    n-butanol 59.16
    acetonitrile 60.71
    DMF 388.16
    toluene 211.44
    isobutanol 47.21
    1,4-dioxane 211.09
    methyl acetate 127.78
    THF 287.53
    2-butanone 183.53
    n-pentanol 56.29
    sec-butanol 52.52
    n-hexane 5.33
    ethylene glycol 8.73
    NMP 360.63
    cyclohexane 15.92
    DMSO 84.71
    n-butyl acetate 103.37
    n-octanol 39.87
    chloroform 447.71
    n-propyl acetate 81.08
    acetic acid 42.5
    dichloromethane 411.92
    cyclohexanone 320.24
    propylene glycol 14.0
    isopropyl acetate 55.83
    DMAc 278.88
    2-ethoxyethanol 55.69
    isopentanol 53.06
    n-heptane 6.61
    ethyl formate 99.22
    1,2-dichloroethane 243.89
    n-hexanol 82.01
    2-methoxyethanol 76.0
    isobutyl acetate 64.62
    tetrachloromethane 55.43
    n-pentyl acetate 83.89
    transcutol 55.64
    n-heptanol 48.54
    ethylbenzene 92.76
    MIBK 72.09
    2-propoxyethanol 101.06
    tert-butanol 47.41
    MTBE 50.12
    2-butoxyethanol 63.69
    propionic acid 53.0
    o-xylene 109.55
    formic acid 11.3
    diethyl ether 53.76
    m-xylene 110.84
    p-xylene 125.44
    chlorobenzene 204.65
    dimethyl carbonate 55.68
    n-octane 5.85
    formamide 27.99
    cyclopentanone 358.55
    2-pentanone 122.21
    anisole 119.95
    cyclopentyl methyl ether 110.2
    gamma-butyrolactone 296.32
    1-methoxy-2-propanol 59.71
    pyridine 365.99
    3-pentanone 103.1
    furfural 298.57
    n-dodecane 6.04
    diethylene glycol 56.25
    diisopropyl ether 18.45
    tert-amyl alcohol 50.55
    acetylacetone 115.55
    n-hexadecane 7.23
    acetophenone 138.52
    methyl propionate 93.37
    isopentyl acetate 101.65
    trichloroethylene 547.5
    n-nonanol 38.46
    cyclohexanol 85.21
    benzyl alcohol 126.4
    2-ethylhexanol 58.79
    isooctanol 39.19
    dipropyl ether 38.39
    1,2-dichlorobenzene 164.58
    ethyl lactate 40.12
    propylene carbonate 170.01
    n-methylformamide 102.83
    2-pentanol 36.42
    n-pentane 5.31
    1-propoxy-2-propanol 64.39
    1-methoxy-2-propyl acetate 82.95
    2-(2-methoxypropoxy) propanol 56.09
    mesitylene 55.15
    ε-caprolactone 230.18
    p-cymene 58.05
    epichlorohydrin 343.91
    1,1,1-trichloroethane 189.85
    2-aminoethanol 20.95
    morpholine-4-carbaldehyde 251.22
    sulfolane 237.72
    2,2,4-trimethylpentane 5.19
    2-methyltetrahydrofuran 196.82
    n-hexyl acetate 89.74
    isooctane 3.69
    2-(2-butoxyethoxy)ethanol 56.42
    sec-butyl acetate 57.07
    tert-butyl acetate 60.25
    decalin 13.27
    glycerin 17.05
    diglyme 106.96
    acrylic acid 51.12
    isopropyl myristate 38.24
    n-butyric acid 77.27
    acetyl acetate 57.86
    di(2-ethylhexyl) phthalate 52.99
    ethyl propionate 65.64
    nitromethane 107.09
    1,2-diethoxyethane 55.35
    benzonitrile 168.75
    trioctyl phosphate 34.54
    1-bromopropane 123.77
    gamma-valerolactone 375.44
    n-decanol 30.11
    triethyl phosphate 44.26
    4-methyl-2-pentanol 25.21
    propionitrile 76.93
    vinylene carbonate 176.47
    1,1,2-trichlorotrifluoroethane 138.64
    DMS 85.15
    cumene 57.35
    2-octanol 37.62
    2-hexanone 101.91
    octyl acetate 51.6
    limonene 64.8
    1,2-dimethoxyethane 129.76
    ethyl orthosilicate 40.58
    tributyl phosphate 35.22
    diacetone alcohol 69.49
    N,N-dimethylaniline 86.11
    acrylonitrile 115.16
    aniline 140.21
    1,3-propanediol 37.88
    bromobenzene 228.26
    dibromomethane 262.4
    1,1,2,2-tetrachloroethane 333.05
    2-methyl-cyclohexyl acetate 77.5
    tetrabutyl urea 57.53
    diisobutyl methanol 28.05
    2-phenylethanol 140.28
    styrene 103.15
    dioctyl adipate 56.09
    dimethyl sulfate 81.13
    ethyl butyrate 76.16
    methyl lactate 37.02
    butyl lactate 52.31
    diethyl carbonate 57.2
    propanediol butyl ether 43.67
    triethyl orthoformate 50.77
    p-tert-butyltoluene 49.52
    methyl 4-tert-butylbenzoate 99.91
    morpholine 210.57
    tert-butylamine 29.77
    n-dodecanol 24.25
    dimethoxymethane 120.85
    ethylene carbonate 129.28
    cyrene 103.07
    2-ethoxyethyl acetate 87.54
    2-ethylhexyl acetate 88.1
    1,2,4-trichlorobenzene 194.75
    4-methylpyridine 348.92
    dibutyl ether 35.39
    2,6-dimethyl-4-heptanol 28.05
    DEF 147.98
    dimethyl isosorbide 131.14
    tetrachloroethylene 201.14
    eugenol 92.94
    triacetin 68.25
    span 80 56.18
    1,4-butanediol 23.17
    1,1-dichloroethane 194.37
    2-methyl-1-pentanol 62.23
    methyl formate 99.81
    2-methyl-1-butanol 57.99
    n-decane 8.91
    butyronitrile 90.81
    3,7-dimethyl-1-octanol 37.44
    1-chlorooctane 37.91
    1-chlorotetradecane 18.66
    n-nonane 7.86
    undecane 7.24
    tert-butylcyclohexane 11.1
    cyclooctane 5.57
    cyclopentanol 91.04
    tetrahydropyran 185.56
    tert-amyl methyl ether 48.24
    2,5,8-trioxanonane 80.97
    1-hexene 28.91
    2-isopropoxyethanol 50.68
    2,2,2-trifluoroethanol 24.41
    methyl butyrate 102.48

    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