3-Cyclohepten-1-one

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    1121-64-8

    Molecular formula
    C7H10O

    SMILES
    C1CC=CCC(=O)C1

  • Odor profile

    Fragrance
    Mint 59.83%
    Herbal 39.47%
    Green 38.09%
    Ketonic 35.34%
    Coumarinic 34.52%
    Animal 32.31%
    Woody 31.13%
    Tobacco 29.83%
    Camphoreous 29.16%
    Hay 28.67%

     

    Flavor
    Minty 49.0%
    Mint 27.5%
    Spice 25.02%
    Camphor 24.2%
    Medicinal 22.29%
    Shrimp 22.16%
    Animal 20.02%
    Basil 19.74%
    Alkaline 19.27%
    Terpentine 19.19%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.89 (neutral)

    Molecular weight
    110.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    183°C

    Flash point

    • 62.78 ˚C est.

  • Synonyms

    • 3-Cyclohepten-1-one
    • 3-Cycloheptenone
    • cyclohept-3-en-1-one
    • 1121-64-8
    • DTXSID10149914
    • SCHEMBL446594
    • DTXCID8072405
    • CHEBI:222636
    • DB-241023
    • 601-169-9

  • Applications

    3-Cyclohepten-1-one is primarily used as a fragrance intermediate, serving as a building block for cyclic enone derivatives used to craft aroma compounds in perfumery. It is also evaluated as a precursor for fragrance ingredients in cosmetics and personal care and may appear in household and cleaning products to impart or modify notes. In industrial manufacturing, it is employed as a starting material for the synthesis of specialty chemicals and for polymer or resin-derived derivatives. In coatings and inks, it can act as a note-bearing additive to support odor-related formulations. Its enone functionality also enables typical transformations (e.g., Michael additions, aldol-type condensations) to access further aroma-related compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 784.23
    methanol 872.65
    isopropanol 570.73
    water 5.05
    ethyl acetate 579.13
    n-propanol 626.48
    acetone 940.96
    n-butanol 457.66
    acetonitrile 1196.17
    DMF 1269.37
    toluene 266.64
    isobutanol 403.48
    1,4-dioxane 1166.88
    methyl acetate 621.74
    THF 881.13
    2-butanone 674.67
    n-pentanol 341.02
    sec-butanol 488.31
    n-hexane 74.17
    ethylene glycol 209.33
    NMP 890.97
    cyclohexane 92.79
    DMSO 1245.09
    n-butyl acetate 257.68
    n-octanol 171.68
    chloroform 2538.68
    n-propyl acetate 282.37
    acetic acid 1126.01
    dichloromethane 1779.62
    cyclohexanone 744.76
    propylene glycol 298.05
    isopropyl acetate 248.38
    DMAc 702.01
    2-ethoxyethanol 394.79
    isopentanol 330.91
    n-heptane 40.06
    ethyl formate 316.15
    1,2-dichloroethane 817.08
    n-hexanol 282.19
    2-methoxyethanol 671.68
    isobutyl acetate 155.51
    tetrachloromethane 269.21
    n-pentyl acetate 214.94
    transcutol 1937.0
    n-heptanol 150.63
    ethylbenzene 132.67
    MIBK 213.36
    2-propoxyethanol 403.3
    tert-butanol 488.68
    MTBE 314.71
    2-butoxyethanol 270.97
    propionic acid 784.08
    o-xylene 157.1
    formic acid 355.71
    diethyl ether 488.82
    m-xylene 152.97
    p-xylene 193.12
    chlorobenzene 515.14
    dimethyl carbonate 179.55
    n-octane 18.13
    formamide 530.99
    cyclopentanone 894.0
    2-pentanone 433.1
    anisole 318.24
    cyclopentyl methyl ether 371.22
    gamma-butyrolactone 995.6
    1-methoxy-2-propanol 491.22
    pyridine 1400.01
    3-pentanone 353.81
    furfural 841.33
    n-dodecane 15.64
    diethylene glycol 363.56
    diisopropyl ether 104.12
    tert-amyl alcohol 386.41
    acetylacetone 490.81
    n-hexadecane 17.26
    acetophenone 278.73
    methyl propionate 435.3
    isopentyl acetate 200.9
    trichloroethylene 1706.37
    n-nonanol 144.8
    cyclohexanol 361.86
    benzyl alcohol 294.22
    2-ethylhexanol 145.78
    isooctanol 120.36
    dipropyl ether 173.42
    1,2-dichlorobenzene 395.49
    ethyl lactate 138.44
    propylene carbonate 436.85
    n-methylformamide 719.35
    2-pentanol 289.43
    n-pentane 57.77
    1-propoxy-2-propanol 280.09
    1-methoxy-2-propyl acetate 236.49
    2-(2-methoxypropoxy) propanol 300.32
    mesitylene 89.24
    ε-caprolactone 583.26
    p-cymene 67.48
    epichlorohydrin 850.24
    1,1,1-trichloroethane 816.18
    2-aminoethanol 450.01
    morpholine-4-carbaldehyde 829.27
    sulfolane 908.89
    2,2,4-trimethylpentane 27.85
    2-methyltetrahydrofuran 670.39
    n-hexyl acetate 316.94
    isooctane 21.29
    2-(2-butoxyethoxy)ethanol 452.69
    sec-butyl acetate 167.91
    tert-butyl acetate 218.76
    decalin 41.68
    glycerin 357.45
    diglyme 757.67
    acrylic acid 759.6
    isopropyl myristate 106.87
    n-butyric acid 672.54
    acetyl acetate 343.63
    di(2-ethylhexyl) phthalate 114.21
    ethyl propionate 240.51
    nitromethane 1543.98
    1,2-diethoxyethane 431.14
    benzonitrile 533.55
    trioctyl phosphate 77.26
    1-bromopropane 497.81
    gamma-valerolactone 934.18
    n-decanol 102.16
    triethyl phosphate 91.94
    4-methyl-2-pentanol 143.53
    propionitrile 737.12
    vinylene carbonate 457.3
    1,1,2-trichlorotrifluoroethane 687.07
    DMS 267.52
    cumene 87.47
    2-octanol 111.67
    2-hexanone 309.55
    octyl acetate 147.1
    limonene 99.87
    1,2-dimethoxyethane 564.65
    ethyl orthosilicate 90.43
    tributyl phosphate 101.65
    diacetone alcohol 277.6
    N,N-dimethylaniline 183.17
    acrylonitrile 974.17
    aniline 482.02
    1,3-propanediol 424.49
    bromobenzene 504.28
    dibromomethane 1141.11
    1,1,2,2-tetrachloroethane 1288.85
    2-methyl-cyclohexyl acetate 140.84
    tetrabutyl urea 124.6
    diisobutyl methanol 86.7
    2-phenylethanol 233.27
    styrene 232.0
    dioctyl adipate 167.96
    dimethyl sulfate 303.06
    ethyl butyrate 192.6
    methyl lactate 220.26
    butyl lactate 180.66
    diethyl carbonate 136.69
    propanediol butyl ether 314.16
    triethyl orthoformate 131.63
    p-tert-butyltoluene 62.24
    methyl 4-tert-butylbenzoate 212.34
    morpholine 1231.87
    tert-butylamine 302.22
    n-dodecanol 75.61
    dimethoxymethane 402.02
    ethylene carbonate 349.77
    cyrene 221.59
    2-ethoxyethyl acetate 311.92
    2-ethylhexyl acetate 151.28
    1,2,4-trichlorobenzene 447.76
    4-methylpyridine 889.43
    dibutyl ether 204.02
    2,6-dimethyl-4-heptanol 86.7
    DEF 506.32
    dimethyl isosorbide 357.79
    tetrachloroethylene 846.63
    eugenol 236.24
    triacetin 326.4
    span 80 279.76
    1,4-butanediol 186.75
    1,1-dichloroethane 997.69
    2-methyl-1-pentanol 253.02
    methyl formate 394.54
    2-methyl-1-butanol 334.31
    n-decane 26.21
    butyronitrile 541.82
    3,7-dimethyl-1-octanol 148.3
    1-chlorooctane 106.72
    1-chlorotetradecane 39.62
    n-nonane 26.22
    undecane 19.73
    tert-butylcyclohexane 36.73
    cyclooctane 24.48
    cyclopentanol 462.7
    tetrahydropyran 886.53
    tert-amyl methyl ether 207.85
    2,5,8-trioxanonane 530.66
    1-hexene 237.49
    2-isopropoxyethanol 260.53
    2,2,2-trifluoroethanol 303.42
    methyl butyrate 324.91

    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

Botanical

Name CAS Botanical Proportion
Carob bean powder 2a raw 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.01%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.03%