Dihydrocyperaquinone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    27304-02-5

    Molecular formula
    C14H12O4

    SMILES
    CC1=COC2=C1C(=O)C3=C(C2=O)OC(=C(C)C)C3

    Safety labels

  • Odor profile

    Fragrance
    Sweet 48.67%
    Caramellic 48.33%
    Mint 39.72%
    Burnt 36.38%
    Tobacco 30.17%
    Herbal 29.88%
    Phenolic 28.18%
    Roasted 26.32%
    Spicy 26.07%
    Coumarinic 24.01%

     

    Flavor
    Bitter 67.97%
    Lovage 21.14%
    Basil 20.34%
    Cedarleaf 19.8%
    Parsley 19.68%
    Red fruit 19.39%
    Ripe apricot 19.39%
    Fenugreek 19.06%
    Leaves 19.03%
    Seedy 18.86%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    5.38 (weak acid)

    Molecular weight
    244.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    429°C

    Flash point

    • 202.62 ˚C est.

  • Synonyms

    • Dihydrocyperaquinone
    • 27304-02-5
    • DTXSID50181752
    • RefChem:1083602
    • DTXCID90104243
    • 5-Methyl-2-(propan-2-ylidene)-2,3-dihydrobenzo[1,2-b:5,4-b']difuran-4,8-dione
    • 27304-02-5

  • Applications

    Dihydrocyperaquinone (CAS 27304-02-5) may serve as an intermediate in organic synthesis and may function as an antioxidant or stabilizer in polymer formulations to improve durability and oxidative resistance; it is studied as a precursor for fragrance compounds and could be considered as a component or precursor in fragrance processing, with potential relevance to coatings/inks and electronics due to its redox-active properties; it may also be evaluated as a synthetic intermediate for pharmaceutical research and development or related industrial applications, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7.23
    methanol 6.93
    isopropanol 6.08
    water 0.01
    ethyl acetate 78.72
    n-propanol 7.46
    acetone 89.37
    n-butanol 8.89
    acetonitrile 55.2
    DMF 292.42
    toluene 63.0
    isobutanol 8.31
    1,4-dioxane 99.73
    methyl acetate 106.68
    THF 254.48
    2-butanone 97.17
    n-pentanol 8.56
    sec-butanol 7.84
    n-hexane 0.68
    ethylene glycol 4.16
    NMP 399.56
    cyclohexane 1.63
    DMSO 111.76
    n-butyl acetate 65.41
    n-octanol 9.74
    chloroform 200.18
    n-propyl acetate 59.33
    acetic acid 40.06
    dichloromethane 202.25
    cyclohexanone 146.53
    propylene glycol 4.26
    isopropyl acetate 64.76
    DMAc 313.14
    2-ethoxyethanol 36.69
    isopentanol 17.01
    n-heptane 0.86
    ethyl formate 42.37
    1,2-dichloroethane 127.58
    n-hexanol 16.23
    2-methoxyethanol 66.97
    isobutyl acetate 48.49
    tetrachloromethane 15.22
    n-pentyl acetate 44.34
    transcutol 134.25
    n-heptanol 11.66
    ethylbenzene 28.17
    MIBK 62.4
    2-propoxyethanol 70.2
    tert-butanol 15.82
    MTBE 30.44
    2-butoxyethanol 42.28
    propionic acid 27.3
    o-xylene 37.62
    formic acid 14.65
    diethyl ether 22.89
    m-xylene 42.71
    p-xylene 42.93
    chlorobenzene 80.77
    dimethyl carbonate 89.8
    n-octane 0.6
    formamide 43.08
    cyclopentanone 264.63
    2-pentanone 74.43
    anisole 80.81
    cyclopentyl methyl ether 97.68
    gamma-butyrolactone 316.35
    1-methoxy-2-propanol 53.68
    pyridine 168.24
    3-pentanone 69.67
    furfural 254.68
    n-dodecane 0.81
    diethylene glycol 55.54
    diisopropyl ether 11.89
    tert-amyl alcohol 17.5
    acetylacetone 152.6
    n-hexadecane 1.05
    acetophenone 103.2
    methyl propionate 97.92
    isopentyl acetate 74.73
    trichloroethylene 401.7
    n-nonanol 11.43
    cyclohexanol 20.64
    benzyl alcohol 53.56
    2-ethylhexanol 18.93
    isooctanol 13.36
    dipropyl ether 17.24
    1,2-dichlorobenzene 88.28
    ethyl lactate 36.83
    propylene carbonate 156.18
    n-methylformamide 80.34
    2-pentanol 8.73
    n-pentane 0.47
    1-propoxy-2-propanol 46.55
    1-methoxy-2-propyl acetate 107.4
    2-(2-methoxypropoxy) propanol 69.44
    mesitylene 22.2
    ε-caprolactone 139.67
    p-cymene 21.34
    epichlorohydrin 350.83
    1,1,1-trichloroethane 111.0
    2-aminoethanol 7.47
    morpholine-4-carbaldehyde 287.22
    sulfolane 288.45
    2,2,4-trimethylpentane 1.37
    2-methyltetrahydrofuran 133.5
    n-hexyl acetate 54.4
    isooctane 1.08
    2-(2-butoxyethoxy)ethanol 64.16
    sec-butyl acetate 50.86
    tert-butyl acetate 81.93
    decalin 3.07
    glycerin 16.46
    diglyme 148.0
    acrylic acid 40.35
    isopropyl myristate 24.78
    n-butyric acid 41.29
    acetyl acetate 76.12
    di(2-ethylhexyl) phthalate 34.29
    ethyl propionate 61.79
    nitromethane 194.0
    1,2-diethoxyethane 47.91
    benzonitrile 88.58
    trioctyl phosphate 20.46
    1-bromopropane 35.74
    gamma-valerolactone 295.47
    n-decanol 8.93
    triethyl phosphate 38.01
    4-methyl-2-pentanol 12.09
    propionitrile 39.86
    vinylene carbonate 134.19
    1,1,2-trichlorotrifluoroethane 178.53
    DMS 107.54
    cumene 19.39
    2-octanol 8.87
    2-hexanone 54.67
    octyl acetate 30.53
    limonene 23.49
    1,2-dimethoxyethane 105.29
    ethyl orthosilicate 32.92
    tributyl phosphate 26.8
    diacetone alcohol 86.63
    N,N-dimethylaniline 55.23
    acrylonitrile 89.76
    aniline 61.73
    1,3-propanediol 15.84
    bromobenzene 94.79
    dibromomethane 94.94
    1,1,2,2-tetrachloroethane 220.44
    2-methyl-cyclohexyl acetate 56.46
    tetrabutyl urea 38.14
    diisobutyl methanol 13.22
    2-phenylethanol 62.36
    styrene 34.82
    dioctyl adipate 41.66
    dimethyl sulfate 174.95
    ethyl butyrate 48.41
    methyl lactate 56.97
    butyl lactate 38.76
    diethyl carbonate 41.05
    propanediol butyl ether 30.14
    triethyl orthoformate 38.65
    p-tert-butyltoluene 19.93
    methyl 4-tert-butylbenzoate 78.58
    morpholine 115.51
    tert-butylamine 7.74
    n-dodecanol 7.23
    dimethoxymethane 130.85
    ethylene carbonate 91.01
    cyrene 101.04
    2-ethoxyethyl acetate 79.0
    2-ethylhexyl acetate 62.22
    1,2,4-trichlorobenzene 113.71
    4-methylpyridine 187.89
    dibutyl ether 16.46
    2,6-dimethyl-4-heptanol 13.22
    DEF 121.78
    dimethyl isosorbide 150.05
    tetrachloroethylene 120.07
    eugenol 73.5
    triacetin 78.1
    span 80 42.76
    1,4-butanediol 6.74
    1,1-dichloroethane 95.4
    2-methyl-1-pentanol 17.07
    methyl formate 82.52
    2-methyl-1-butanol 13.68
    n-decane 1.14
    butyronitrile 32.25
    3,7-dimethyl-1-octanol 17.15
    1-chlorooctane 8.97
    1-chlorotetradecane 4.93
    n-nonane 0.82
    undecane 0.94
    tert-butylcyclohexane 2.64
    cyclooctane 0.9
    cyclopentanol 27.01
    tetrahydropyran 65.94
    tert-amyl methyl ether 31.91
    2,5,8-trioxanonane 104.27
    1-hexene 4.85
    2-isopropoxyethanol 35.01
    2,2,2-trifluoroethanol 32.64
    methyl butyrate 76.52

    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