2-[(Furan-2-yl)methylidene]cyclohexan-1-one

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  • Identifiers

    CAS number
    10496-51-2

    Molecular formula
    C11H12O2

    SMILES
    C1CCC(=O)/C(=C\C2=CC=CO2)/C1

    Safety labels

  • Odor profile

    Fragrance
    Caramellic 54.33%
    Spicy 47.27%
    Fruity 46.82%
    Woody 46.2%
    Sweet 45.75%
    Nutty 42.27%
    Coumarinic 41.96%
    Herbal 38.46%
    Coconut 36.42%
    Mint 35.04%

     

    Flavor
    Herbal 29.38%
    Bitter 26.69%
    Tonka 24.76%
    Spice 24.53%
    Minty 24.14%
    Coconut 24.0%
    Coumarin 23.72%
    Lovage 22.19%
    Celery 21.12%
    Basil 20.98%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    6.53 (neutral)

    Molecular weight
    176.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    286°C

    Flash point

    • 120.24 ˚C est.

  • Synonyms

    • 10496-51-2
    • 2-[(furan-2-yl)methylidene]cyclohexan-1-one
    • NSC201622
    • furfurylidenecyclohexanone
    • AKOS001320872
    • NSC-201622
    • EN300-25907
    • 10496-51-2

  • Applications

    2-[(Furan-2-yl)methylidene]cyclohexan-1-one (CAS 10496-51-2) is viewed as an intermediate in organic synthesis, commonly evaluated as a precursor for complex synthetic sequences; it can serve as a building block for conjugated polymer systems and in coating/ink formulations as a reactive intermediate; it is also investigated for pharmaceutical/medicinal chemistry as a synthetic scaffold and has potential applications in fragrance chemistry as a foundation for fragrance synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 190.91
    methanol 280.9
    isopropanol 123.39
    water 0.73
    ethyl acetate 154.19
    n-propanol 142.42
    acetone 174.38
    n-butanol 133.73
    acetonitrile 200.75
    DMF 392.59
    toluene 143.52
    isobutanol 115.43
    1,4-dioxane 311.52
    methyl acetate 202.93
    THF 222.5
    2-butanone 195.39
    n-pentanol 99.98
    sec-butanol 113.83
    n-hexane 3.11
    ethylene glycol 64.02
    NMP 171.09
    cyclohexane 10.34
    DMSO 315.64
    n-butyl acetate 101.13
    n-octanol 59.18
    chloroform 645.01
    n-propyl acetate 103.35
    acetic acid 158.14
    dichloromethane 596.5
    cyclohexanone 219.95
    propylene glycol 72.39
    isopropyl acetate 93.16
    DMAc 423.7
    2-ethoxyethanol 157.0
    isopentanol 134.9
    n-heptane 3.92
    ethyl formate 124.31
    1,2-dichloroethane 285.35
    n-hexanol 88.82
    2-methoxyethanol 254.12
    isobutyl acetate 75.15
    tetrachloromethane 39.13
    n-pentyl acetate 59.35
    transcutol 667.46
    n-heptanol 49.89
    ethylbenzene 83.32
    MIBK 94.71
    2-propoxyethanol 156.06
    tert-butanol 148.29
    MTBE 100.49
    2-butoxyethanol 104.63
    propionic acid 124.91
    o-xylene 90.12
    formic acid 66.54
    diethyl ether 91.58
    m-xylene 84.19
    p-xylene 101.81
    chlorobenzene 171.97
    dimethyl carbonate 84.3
    n-octane 3.38
    formamide 137.15
    cyclopentanone 205.23
    2-pentanone 124.9
    anisole 181.41
    cyclopentyl methyl ether 88.68
    gamma-butyrolactone 219.98
    1-methoxy-2-propanol 174.23
    pyridine 381.43
    3-pentanone 112.01
    furfural 297.0
    n-dodecane 5.64
    diethylene glycol 147.47
    diisopropyl ether 28.76
    tert-amyl alcohol 114.98
    acetylacetone 164.82
    n-hexadecane 6.49
    acetophenone 161.08
    methyl propionate 133.57
    isopentyl acetate 101.16
    trichloroethylene 609.27
    n-nonanol 55.64
    cyclohexanol 99.3
    benzyl alcohol 157.51
    2-ethylhexanol 57.66
    isooctanol 45.98
    dipropyl ether 46.56
    1,2-dichlorobenzene 148.42
    ethyl lactate 64.25
    propylene carbonate 151.39
    n-methylformamide 148.8
    2-pentanol 77.39
    n-pentane 3.39
    1-propoxy-2-propanol 100.91
    1-methoxy-2-propyl acetate 115.0
    2-(2-methoxypropoxy) propanol 140.21
    mesitylene 47.71
    ε-caprolactone 175.36
    p-cymene 40.61
    epichlorohydrin 291.82
    1,1,1-trichloroethane 199.12
    2-aminoethanol 114.55
    morpholine-4-carbaldehyde 270.19
    sulfolane 203.95
    2,2,4-trimethylpentane 5.96
    2-methyltetrahydrofuran 139.91
    n-hexyl acetate 97.98
    isooctane 4.52
    2-(2-butoxyethoxy)ethanol 187.79
    sec-butyl acetate 77.16
    tert-butyl acetate 92.45
    decalin 11.2
    glycerin 109.34
    diglyme 321.91
    acrylic acid 124.07
    isopropyl myristate 49.33
    n-butyric acid 166.58
    acetyl acetate 110.16
    di(2-ethylhexyl) phthalate 57.81
    ethyl propionate 93.68
    nitromethane 263.03
    1,2-diethoxyethane 144.98
    benzonitrile 181.67
    trioctyl phosphate 35.31
    1-bromopropane 123.92
    gamma-valerolactone 273.97
    n-decanol 43.6
    triethyl phosphate 48.56
    4-methyl-2-pentanol 57.29
    propionitrile 176.53
    vinylene carbonate 176.35
    1,1,2-trichlorotrifluoroethane 206.78
    DMS 107.22
    cumene 52.4
    2-octanol 36.45
    2-hexanone 98.98
    octyl acetate 60.56
    limonene 48.88
    1,2-dimethoxyethane 263.64
    ethyl orthosilicate 46.62
    tributyl phosphate 44.45
    diacetone alcohol 125.45
    N,N-dimethylaniline 116.14
    acrylonitrile 264.78
    aniline 163.2
    1,3-propanediol 135.51
    bromobenzene 183.92
    dibromomethane 337.38
    1,1,2,2-tetrachloroethane 393.3
    2-methyl-cyclohexyl acetate 74.46
    tetrabutyl urea 61.73
    diisobutyl methanol 38.98
    2-phenylethanol 109.98
    styrene 114.22
    dioctyl adipate 76.11
    dimethyl sulfate 111.72
    ethyl butyrate 87.03
    methyl lactate 80.75
    butyl lactate 62.16
    diethyl carbonate 73.32
    propanediol butyl ether 108.11
    triethyl orthoformate 60.85
    p-tert-butyltoluene 36.35
    methyl 4-tert-butylbenzoate 113.31
    morpholine 283.96
    tert-butylamine 84.21
    n-dodecanol 35.51
    dimethoxymethane 185.74
    ethylene carbonate 130.98
    cyrene 115.39
    2-ethoxyethyl acetate 102.63
    2-ethylhexyl acetate 74.7
    1,2,4-trichlorobenzene 177.04
    4-methylpyridine 308.79
    dibutyl ether 58.66
    2,6-dimethyl-4-heptanol 38.98
    DEF 164.61
    dimethyl isosorbide 170.0
    tetrachloroethylene 242.66
    eugenol 126.06
    triacetin 120.99
    span 80 101.87
    1,4-butanediol 63.33
    1,1-dichloroethane 254.4
    2-methyl-1-pentanol 105.51
    methyl formate 120.63
    2-methyl-1-butanol 117.29
    n-decane 7.69
    butyronitrile 147.15
    3,7-dimethyl-1-octanol 64.55
    1-chlorooctane 37.23
    1-chlorotetradecane 19.1
    n-nonane 6.02
    undecane 6.48
    tert-butylcyclohexane 10.03
    cyclooctane 3.83
    cyclopentanol 84.63
    tetrahydropyran 168.68
    tert-amyl methyl ether 72.9
    2,5,8-trioxanonane 242.28
    1-hexene 26.23
    2-isopropoxyethanol 111.83
    2,2,2-trifluoroethanol 59.78
    methyl butyrate 131.68

    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