Cyclohept-4-en-1-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    19686-79-4

    Molecular formula
    C7H10O

    SMILES
    C1CC(=O)CCC=C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Mint 62.51%
    Ketonic 40.36%
    Herbal 38.91%
    Coumarinic 35.18%
    Animal 33.76%
    Fruity 32.98%
    Woody 31.24%
    Green 31.08%
    Camphoreous 30.93%
    Tobacco 30.32%

     

    Flavor
    Minty 48.31%
    Mint 25.93%
    Camphor 24.51%
    Shrimp 21.87%
    Spice 21.49%
    Animal 20.6%
    Medicinal 20.52%
    Basil 19.25%
    Acetone 19.13%
    Alkaline 19.03%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    8.0 (weak base)

    Molecular weight
    110.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    182°C

    Flash point

    • 62.15 ˚C est.

  • Synonyms

    • cyclohept-4-en-1-one
    • RefChem:580316
    • 810-348-2
    • CYCLOHEPTEN-5-ONE
    • 19686-79-4
    • Cycloheptene-5-one
    • Cyclohept-4-enone
    • 4-Cyclohepten-1-one
    • 4-cycloheptenone
    • (Z)-cyclohept-4-enone
    • 4-Cyclohepten-1-one #
    • SCHEMBL458291
    • DTXSID90338485
    • AKOS006285489
    • DB-008557
    • EN300-91923
    • 19686-79-4

  • Applications

    Cyclohept-4-en-1-one (CAS 19686-79-4) is primarily used as an intermediate in organic synthesis, providing pathways to access cyclic enone derivatives through various transformations. It is commonly evaluated as a building block for pharmaceutical and agrochemical research, enabling the synthesis of more complex biologically active molecules. In fragrance chemistry, the enone moiety can serve as a precursor for fragrance ingredients or odorants. In polymer and coatings development, its conjugate-addition reactivity of the enone can be leveraged to prepare functional materials or crosslinked networks under appropriate catalysis. Use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 451.09
    methanol 490.15
    isopropanol 387.77
    water 2.17
    ethyl acetate 543.82
    n-propanol 388.85
    acetone 885.55
    n-butanol 299.57
    acetonitrile 1113.49
    DMF 1149.13
    toluene 287.35
    isobutanol 274.41
    1,4-dioxane 979.56
    methyl acetate 642.36
    THF 851.52
    2-butanone 680.93
    n-pentanol 229.91
    sec-butanol 344.44
    n-hexane 80.1
    ethylene glycol 99.67
    NMP 912.85
    cyclohexane 86.83
    DMSO 921.62
    n-butyl acetate 215.45
    n-octanol 130.7
    chloroform 2604.01
    n-propyl acetate 275.19
    acetic acid 659.28
    dichloromethane 1958.66
    cyclohexanone 710.48
    propylene glycol 160.32
    isopropyl acetate 250.06
    DMAc 765.23
    2-ethoxyethanol 299.87
    isopentanol 235.36
    n-heptane 43.96
    ethyl formate 306.72
    1,2-dichloroethane 898.82
    n-hexanol 180.68
    2-methoxyethanol 517.97
    isobutyl acetate 145.8
    tetrachloromethane 316.52
    n-pentyl acetate 218.54
    transcutol 1264.1
    n-heptanol 116.62
    ethylbenzene 154.7
    MIBK 210.5
    2-propoxyethanol 290.14
    tert-butanol 363.84
    MTBE 302.72
    2-butoxyethanol 217.28
    propionic acid 536.86
    o-xylene 173.11
    formic acid 186.13
    diethyl ether 432.64
    m-xylene 153.68
    p-xylene 227.2
    chlorobenzene 523.65
    dimethyl carbonate 184.2
    n-octane 20.43
    formamide 374.23
    cyclopentanone 955.43
    2-pentanone 436.4
    anisole 326.31
    cyclopentyl methyl ether 359.0
    gamma-butyrolactone 1070.0
    1-methoxy-2-propanol 390.67
    pyridine 1262.97
    3-pentanone 379.17
    furfural 845.78
    n-dodecane 16.41
    diethylene glycol 222.31
    diisopropyl ether 103.45
    tert-amyl alcohol 300.09
    acetylacetone 483.79
    n-hexadecane 18.23
    acetophenone 305.4
    methyl propionate 422.31
    isopentyl acetate 177.62
    trichloroethylene 1881.12
    n-nonanol 116.33
    cyclohexanol 265.88
    benzyl alcohol 266.24
    2-ethylhexanol 110.79
    isooctanol 97.28
    dipropyl ether 164.87
    1,2-dichlorobenzene 439.82
    ethyl lactate 121.86
    propylene carbonate 464.25
    n-methylformamide 589.53
    2-pentanol 209.6
    n-pentane 55.86
    1-propoxy-2-propanol 208.23
    1-methoxy-2-propyl acetate 204.66
    2-(2-methoxypropoxy) propanol 234.06
    mesitylene 93.88
    ε-caprolactone 565.09
    p-cymene 70.65
    epichlorohydrin 925.78
    1,1,1-trichloroethane 939.23
    2-aminoethanol 242.48
    morpholine-4-carbaldehyde 757.56
    sulfolane 942.39
    2,2,4-trimethylpentane 27.74
    2-methyltetrahydrofuran 658.82
    n-hexyl acetate 287.73
    isooctane 20.31
    2-(2-butoxyethoxy)ethanol 336.63
    sec-butyl acetate 170.72
    tert-butyl acetate 211.8
    decalin 46.27
    glycerin 200.0
    diglyme 636.23
    acrylic acid 502.2
    isopropyl myristate 107.96
    n-butyric acid 507.18
    acetyl acetate 334.31
    di(2-ethylhexyl) phthalate 99.83
    ethyl propionate 251.43
    nitromethane 1246.82
    1,2-diethoxyethane 356.51
    benzonitrile 496.77
    trioctyl phosphate 67.24
    1-bromopropane 561.43
    gamma-valerolactone 907.95
    n-decanol 81.2
    triethyl phosphate 94.34
    4-methyl-2-pentanol 115.15
    propionitrile 684.92
    vinylene carbonate 466.69
    1,1,2-trichlorotrifluoroethane 664.76
    DMS 266.44
    cumene 96.09
    2-octanol 94.89
    2-hexanone 307.18
    octyl acetate 138.36
    limonene 102.53
    1,2-dimethoxyethane 530.07
    ethyl orthosilicate 90.59
    tributyl phosphate 90.0
    diacetone alcohol 257.02
    N,N-dimethylaniline 197.08
    acrylonitrile 906.19
    aniline 424.27
    1,3-propanediol 272.57
    bromobenzene 558.65
    dibromomethane 1262.97
    1,1,2,2-tetrachloroethane 1416.08
    2-methyl-cyclohexyl acetate 133.07
    tetrabutyl urea 118.98
    diisobutyl methanol 72.81
    2-phenylethanol 191.84
    styrene 249.03
    dioctyl adipate 162.73
    dimethyl sulfate 315.15
    ethyl butyrate 187.44
    methyl lactate 193.38
    butyl lactate 164.26
    diethyl carbonate 133.1
    propanediol butyl ether 218.56
    triethyl orthoformate 127.5
    p-tert-butyltoluene 67.38
    methyl 4-tert-butylbenzoate 218.47
    morpholine 993.33
    tert-butylamine 242.1
    n-dodecanol 61.75
    dimethoxymethane 391.22
    ethylene carbonate 360.38
    cyrene 200.32
    2-ethoxyethyl acetate 296.64
    2-ethylhexyl acetate 139.48
    1,2,4-trichlorobenzene 485.05
    4-methylpyridine 897.61
    dibutyl ether 196.62
    2,6-dimethyl-4-heptanol 72.81
    DEF 498.55
    dimethyl isosorbide 331.14
    tetrachloroethylene 918.86
    eugenol 205.3
    triacetin 318.34
    span 80 221.74
    1,4-butanediol 112.21
    1,1-dichloroethane 1129.47
    2-methyl-1-pentanol 188.43
    methyl formate 341.63
    2-methyl-1-butanol 238.78
    n-decane 27.49
    butyronitrile 504.87
    3,7-dimethyl-1-octanol 121.19
    1-chlorooctane 101.87
    1-chlorotetradecane 40.72
    n-nonane 27.73
    undecane 20.39
    tert-butylcyclohexane 39.22
    cyclooctane 26.53
    cyclopentanol 359.39
    tetrahydropyran 712.04
    tert-amyl methyl ether 207.05
    2,5,8-trioxanonane 424.6
    1-hexene 237.12
    2-isopropoxyethanol 204.48
    2,2,2-trifluoroethanol 229.5
    methyl butyrate 331.13

    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