1a,7b-Dihydrocyclopropa[c]chromen-2-one

  • Identifiers

    Molecular formula
    C10H8O2

    SMILES
    C1C2C1C(=O)OC3=CC=CC=C23

  • Odor profile

    Fragrance
    Green 70.05%
    Spicy 62.62%
    Coumarinic 54.99%
    Sweet 49.11%
    Nutty 48.89%
    Herbal 47.08%
    Coconut 45.21%
    Phenolic 36.86%
    Balsamic 34.91%
    Vanilla 34.61%

     

    Flavor
    Bitter 87.01%
    Herbal 26.39%
    Tonka 25.36%
    Lovage 20.69%
    Cedarleaf 20.13%
    Coconut 19.66%
    Naphthalic 19.44%
    Moth ball 18.95%
    Nitrile 18.83%
    Fenugreek 18.79%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.41 (weak base)

    Molecular weight
    160.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    307°C

    Flash point

    • 118.82 ˚C est.

  • Synonyms

    • SCHEMBL14135291
    • 1a,7b-dihydrocyclopropa[c]chromen-2-one
  • Applications

    1a,7b-Dihydrocyclopropa[c]chromen-2-one may serve as a versatile synthetic intermediate and building block in medicinal chemistry, enabling the construction of more complex bioactive heterocycles. It is often evaluated as a scaffold to diversify chromene-based compounds in pharmaceutical research. In fragrance and perfumery, related chromene-lactone motifs are sometimes explored as odor-active frameworks or fragrance intermediates, offering potential as a component in scent formulations. In polymer and coatings development, the cyclopropane–chromene lactone core can be used as a precursor for functionalized monomers or crosslinkable additives in specialty polymers and coatings. Additionally, it may be encountered in organic synthesis workflows as a preparative building block for broader chemical libraries.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 32.61
    methanol 51.12
    isopropanol 24.56
    water 0.39
    ethyl acetate 86.1
    n-propanol 25.43
    acetone 146.88
    n-butanol 24.53
    acetonitrile 81.22
    DMF 247.25
    toluene 33.66
    isobutanol 19.56
    1,4-dioxane 210.62
    methyl acetate 123.91
    THF 194.5
    2-butanone 107.98
    n-pentanol 25.66
    sec-butanol 21.13
    n-hexane 1.42
    ethylene glycol 28.27
    NMP 163.13
    cyclohexane 1.62
    DMSO 226.49
    n-butyl acetate 73.23
    n-octanol 20.7
    chloroform 172.46
    n-propyl acetate 82.33
    acetic acid 71.48
    dichloromethane 251.67
    cyclohexanone 130.6
    propylene glycol 16.89
    isopropyl acetate 66.24
    DMAc 168.84
    2-ethoxyethanol 101.1
    isopentanol 29.88
    n-heptane 2.09
    ethyl formate 65.38
    1,2-dichloroethane 165.95
    n-hexanol 29.77
    2-methoxyethanol 145.4
    isobutyl acetate 59.18
    tetrachloromethane 17.95
    n-pentyl acetate 55.41
    transcutol 456.92
    n-heptanol 21.26
    ethylbenzene 25.76
    MIBK 63.23
    2-propoxyethanol 106.19
    tert-butanol 39.34
    MTBE 47.5
    2-butoxyethanol 71.96
    propionic acid 51.44
    o-xylene 26.35
    formic acid 38.32
    diethyl ether 41.95
    m-xylene 28.76
    p-xylene 35.94
    chlorobenzene 69.94
    dimethyl carbonate 79.24
    n-octane 1.56
    formamide 94.86
    cyclopentanone 202.65
    2-pentanone 76.88
    anisole 87.18
    cyclopentyl methyl ether 57.5
    gamma-butyrolactone 247.16
    1-methoxy-2-propanol 92.38
    pyridine 138.79
    3-pentanone 60.51
    furfural 231.51
    n-dodecane 2.3
    diethylene glycol 123.09
    diisopropyl ether 18.35
    tert-amyl alcohol 31.74
    acetylacetone 170.62
    n-hexadecane 2.72
    acetophenone 94.32
    methyl propionate 80.52
    isopentyl acetate 70.9
    trichloroethylene 302.15
    n-nonanol 21.24
    cyclohexanol 23.95
    benzyl alcohol 64.98
    2-ethylhexanol 23.35
    isooctanol 20.9
    dipropyl ether 26.22
    1,2-dichlorobenzene 82.77
    ethyl lactate 47.26
    propylene carbonate 109.2
    n-methylformamide 106.8
    2-pentanol 18.55
    n-pentane 1.13
    1-propoxy-2-propanol 64.33
    1-methoxy-2-propyl acetate 100.08
    2-(2-methoxypropoxy) propanol 88.19
    mesitylene 20.45
    ε-caprolactone 122.61
    p-cymene 18.49
    epichlorohydrin 313.96
    1,1,1-trichloroethane 90.11
    2-aminoethanol 30.03
    morpholine-4-carbaldehyde 251.25
    sulfolane 229.62
    2,2,4-trimethylpentane 2.1
    2-methyltetrahydrofuran 92.96
    n-hexyl acetate 74.47
    isooctane 2.12
    2-(2-butoxyethoxy)ethanol 120.71
    sec-butyl acetate 57.65
    tert-butyl acetate 81.39
    decalin 3.89
    glycerin 46.54
    diglyme 256.83
    acrylic acid 62.53
    isopropyl myristate 32.74
    n-butyric acid 56.59
    acetyl acetate 82.57
    di(2-ethylhexyl) phthalate 35.49
    ethyl propionate 67.51
    nitromethane 229.89
    1,2-diethoxyethane 103.85
    benzonitrile 91.61
    trioctyl phosphate 23.61
    1-bromopropane 39.5
    gamma-valerolactone 283.26
    n-decanol 17.61
    triethyl phosphate 36.8
    4-methyl-2-pentanol 19.3
    propionitrile 57.23
    vinylene carbonate 116.64
    1,1,2-trichlorotrifluoroethane 148.24
    DMS 119.86
    cumene 20.32
    2-octanol 15.66
    2-hexanone 71.22
    octyl acetate 39.14
    limonene 19.86
    1,2-dimethoxyethane 195.95
    ethyl orthosilicate 33.15
    tributyl phosphate 30.39
    diacetone alcohol 88.65
    N,N-dimethylaniline 52.73
    acrylonitrile 101.69
    aniline 47.76
    1,3-propanediol 51.4
    bromobenzene 72.61
    dibromomethane 105.89
    1,1,2,2-tetrachloroethane 171.01
    2-methyl-cyclohexyl acetate 50.48
    tetrabutyl urea 39.38
    diisobutyl methanol 19.03
    2-phenylethanol 63.77
    styrene 33.76
    dioctyl adipate 47.4
    dimethyl sulfate 123.76
    ethyl butyrate 53.95
    methyl lactate 58.54
    butyl lactate 46.92
    diethyl carbonate 47.85
    propanediol butyl ether 65.2
    triethyl orthoformate 41.87
    p-tert-butyltoluene 18.55
    methyl 4-tert-butylbenzoate 74.77
    morpholine 153.19
    tert-butylamine 18.78
    n-dodecanol 14.68
    dimethoxymethane 160.93
    ethylene carbonate 94.24
    cyrene 84.91
    2-ethoxyethyl acetate 116.95
    2-ethylhexyl acetate 54.23
    1,2,4-trichlorobenzene 94.54
    4-methylpyridine 111.95
    dibutyl ether 32.02
    2,6-dimethyl-4-heptanol 19.03
    DEF 89.67
    dimethyl isosorbide 135.19
    tetrachloroethylene 108.73
    eugenol 81.63
    triacetin 102.76
    span 80 56.63
    1,4-butanediol 28.56
    1,1-dichloroethane 92.18
    2-methyl-1-pentanol 31.06
    methyl formate 106.07
    2-methyl-1-butanol 23.12
    n-decane 2.94
    butyronitrile 45.34
    3,7-dimethyl-1-octanol 27.0
    1-chlorooctane 14.76
    1-chlorotetradecane 8.67
    n-nonane 2.33
    undecane 2.57
    tert-butylcyclohexane 3.97
    cyclooctane 1.09
    cyclopentanol 31.6
    tetrahydropyran 73.62
    tert-amyl methyl ether 35.74
    2,5,8-trioxanonane 157.38
    1-hexene 8.69
    2-isopropoxyethanol 76.37
    2,2,2-trifluoroethanol 50.97
    methyl butyrate 83.41

    Scent© AI

1 of 4
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