Cycloheptanone

Overview IFRA Request a quote

  • Identifiers

    CAS number
    502-42-1

    Molecular formula
    C7H12O

    SMILES
    C1CCCC(=O)CC1

    Safety labels

    Flammable
    Flammable

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Mint 73.53%
    Ketonic 59.08%
    Camphoreous 50.02%
    Animal 46.84%
    Solvent 46.74%
    Woody 39.9%
    Musk 39.84%
    Musty 38.61%
    Sweet 36.61%
    Tobacco 34.42%

     

    Flavor
    Minty 59.0%
    Camphor 31.09%
    Animal 24.61%
    Acetone 23.84%
    Medicinal 22.92%
    Shrimp 21.33%
    Mint 21.25%
    Camphoraceous 21.01%
    Fruity 20.22%
    Basil 20.04%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    8.38 (weak base)

    Molecular weight
    112.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point

    • 178.5-179.5 @ 760 MM HG

    Flash point

    • 61.05 ˚C est.

    Solubility expt.

    • INSOL IN WATER; SOL IN ETHER, VERY SOL IN ALCOHOL

  • Synonyms

    • CYCLOHEPTANONE
    • 502-42-1
    • Ketocycloheptane
    • Suberone
    • Suberon
    • Ketoheptamethylene
    • HSDB 2819
    • NSC 9471
    • EINECS 207-937-6
    • AI3-09538
    • UNII-QH80295937
    • NSC-9471
    • CYCLOHEPTANONE [MI]
    • CHEMBL18607
    • cycloheptanon
    • DTXSID8060113
    • QH80295937
    • MFCD00004159
    • cyclo-heptanone
    • Cycloheptanone, 98%
    • Cycloheptanone, 99%
    • WLN: L7VTJ
    • SCHEMBL6077
    • DTXCID7040788
    • NSC9471
    • BDBM50028831
    • STL199038
    • AKOS000118914
    • LS-13306
    • NS00032017
    • EN300-19194
    • D89253
    • Q413525
    • F0001-1310
    • Z104473100
    • 207-937-6

  • Applications

    Cycloheptanone (CAS 502-42-1) is a versatile cyclic ketone used primarily as an intermediate in organic synthesis; it serves as a building block for pharmaceutical and agrochemical intermediates and as a precursor to cyclic ketone derivatives employed in specialty polymers, coatings, and resins. It is also used as a solvent or reaction medium in various industrial manufacturing processes, supporting formulation and process chemistry. In fragrance and flavor chemistry, it is evaluated as a precursor for aroma compounds. In cleaning and other industrial formulations, cycloheptanone can function as a processing solvent. Its exact use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1330.23
    methanol 1407.04
    isopropanol 1120.38
    water 2.44
    ethyl acetate 1233.08
    n-propanol 1131.77
    acetone 2158.61
    n-butanol 847.46
    acetonitrile 2468.23
    DMF 2106.93
    toluene 549.99
    isobutanol 750.44
    1,4-dioxane 2023.13
    methyl acetate 1204.35
    THF 2094.55
    2-butanone 1435.38
    n-pentanol 564.6
    sec-butanol 907.81
    n-hexane 215.7
    ethylene glycol 243.83
    NMP 1684.05
    cyclohexane 311.42
    DMSO 1894.33
    n-butyl acetate 689.05
    n-octanol 319.07
    chloroform 6249.56
    n-propyl acetate 656.47
    acetic acid 1999.99
    dichloromethane 4322.79
    cyclohexanone 1723.39
    propylene glycol 413.67
    isopropyl acetate 586.58
    DMAc 1051.18
    2-ethoxyethanol 613.21
    isopentanol 615.77
    n-heptane 120.82
    ethyl formate 760.56
    1,2-dichloroethane 2053.23
    n-hexanol 531.3
    2-methoxyethanol 1135.45
    isobutyl acetate 344.1
    tetrachloromethane 772.87
    n-pentyl acetate 580.4
    transcutol 2541.94
    n-heptanol 294.76
    ethylbenzene 288.65
    MIBK 429.21
    2-propoxyethanol 706.15
    tert-butanol 1042.05
    MTBE 662.03
    2-butoxyethanol 523.02
    propionic acid 1500.32
    o-xylene 297.41
    formic acid 472.97
    diethyl ether 1037.55
    m-xylene 272.09
    p-xylene 440.97
    chlorobenzene 1270.13
    dimethyl carbonate 289.47
    n-octane 50.07
    formamide 811.76
    cyclopentanone 2214.35
    2-pentanone 910.06
    anisole 560.4
    cyclopentyl methyl ether 849.44
    gamma-butyrolactone 2518.4
    1-methoxy-2-propanol 842.23
    pyridine 2838.14
    3-pentanone 728.24
    furfural 1969.41
    n-dodecane 34.7
    diethylene glycol 490.25
    diisopropyl ether 234.02
    tert-amyl alcohol 719.91
    acetylacetone 1000.73
    n-hexadecane 39.71
    acetophenone 546.46
    methyl propionate 819.79
    isopentyl acetate 507.03
    trichloroethylene 4498.59
    n-nonanol 269.53
    cyclohexanol 770.18
    benzyl alcohol 532.91
    2-ethylhexanol 291.15
    isooctanol 226.96
    dipropyl ether 442.27
    1,2-dichlorobenzene 995.03
    ethyl lactate 245.65
    propylene carbonate 1129.05
    n-methylformamide 1347.73
    2-pentanol 564.35
    n-pentane 158.58
    1-propoxy-2-propanol 540.09
    1-methoxy-2-propyl acetate 469.43
    2-(2-methoxypropoxy) propanol 422.98
    mesitylene 171.91
    ε-caprolactone 1411.27
    p-cymene 157.3
    epichlorohydrin 1934.78
    1,1,1-trichloroethane 2119.13
    2-aminoethanol 616.33
    morpholine-4-carbaldehyde 1379.82
    sulfolane 2065.56
    2,2,4-trimethylpentane 55.25
    2-methyltetrahydrofuran 1586.51
    n-hexyl acetate 737.43
    isooctane 42.32
    2-(2-butoxyethoxy)ethanol 664.8
    sec-butyl acetate 373.62
    tert-butyl acetate 481.18
    decalin 94.91
    glycerin 510.06
    diglyme 1233.15
    acrylic acid 1342.81
    isopropyl myristate 223.09
    n-butyric acid 1512.1
    acetyl acetate 718.73
    di(2-ethylhexyl) phthalate 201.84
    ethyl propionate 521.69
    nitromethane 2939.04
    1,2-diethoxyethane 841.06
    benzonitrile 1255.64
    trioctyl phosphate 141.52
    1-bromopropane 1237.97
    gamma-valerolactone 2033.09
    n-decanol 181.76
    triethyl phosphate 181.16
    4-methyl-2-pentanol 250.96
    propionitrile 1642.98
    vinylene carbonate 1137.97
    1,1,2-trichlorotrifluoroethane 1392.96
    DMS 512.75
    cumene 176.33
    2-octanol 236.34
    2-hexanone 670.68
    octyl acetate 293.8
    limonene 234.07
    1,2-dimethoxyethane 1084.19
    ethyl orthosilicate 176.5
    tributyl phosphate 195.4
    diacetone alcohol 529.42
    N,N-dimethylaniline 310.22
    acrylonitrile 2128.65
    aniline 930.39
    1,3-propanediol 738.03
    bromobenzene 1310.01
    dibromomethane 2910.61
    1,1,2,2-tetrachloroethane 3356.68
    2-methyl-cyclohexyl acetate 292.85
    tetrabutyl urea 232.34
    diisobutyl methanol 178.9
    2-phenylethanol 449.6
    styrene 484.84
    dioctyl adipate 324.05
    dimethyl sulfate 432.5
    ethyl butyrate 487.26
    methyl lactate 358.78
    butyl lactate 407.87
    diethyl carbonate 300.18
    propanediol butyl ether 502.99
    triethyl orthoformate 303.92
    p-tert-butyltoluene 145.52
    methyl 4-tert-butylbenzoate 397.57
    morpholine 2143.46
    tert-butylamine 678.69
    n-dodecanol 132.53
    dimethoxymethane 660.8
    ethylene carbonate 925.48
    cyrene 320.09
    2-ethoxyethyl acetate 649.19
    2-ethylhexyl acetate 379.36
    1,2,4-trichlorobenzene 1050.93
    4-methylpyridine 1904.88
    dibutyl ether 498.88
    2,6-dimethyl-4-heptanol 178.9
    DEF 949.22
    dimethyl isosorbide 594.46
    tetrachloroethylene 2278.85
    eugenol 396.33
    triacetin 613.12
    span 80 472.07
    1,4-butanediol 275.07
    1,1-dichloroethane 2576.43
    2-methyl-1-pentanol 399.35
    methyl formate 774.02
    2-methyl-1-butanol 580.58
    n-decane 65.81
    butyronitrile 1275.93
    3,7-dimethyl-1-octanol 285.43
    1-chlorooctane 256.27
    1-chlorotetradecane 85.45
    n-nonane 70.66
    undecane 45.03
    tert-butylcyclohexane 78.78
    cyclooctane 77.04
    cyclopentanol 1070.14
    tetrahydropyran 1870.02
    tert-amyl methyl ether 403.26
    2,5,8-trioxanonane 730.81
    1-hexene 613.64
    2-isopropoxyethanol 415.33
    2,2,2-trifluoroethanol 559.0
    methyl butyrate 749.6

    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