Cyclooctanone

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  • Identifiers

    CAS number
    502-49-8

    Molecular formula
    C8H14O

    SMILES
    C1CCCC(=O)CCC1

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Mint 65.5%
    Musk 57.12%
    Animal 55.3%
    Ketonic 49.97%
    Camphoreous 44.8%
    Woody 40.89%
    Solvent 38.68%
    Tobacco 33.82%
    Musty 33.3%
    Sweet 32.78%

     

    Flavor
    Minty 53.63%
    Camphor 29.82%
    Animal 26.89%
    Fruity 25.27%
    Acetone 22.95%
    Shrimp 21.49%
    Medicinal 21.27%
    Musk 21.01%
    Camphoraceous 20.33%
    Mint 20.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.92 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    199°C

    Flash point

    • 72.5 ˚C est.

  • Synonyms

    • CYCLOOCTANONE
    • 502-49-8
    • Z4GO9P8SUZ
    • NSC-9475
    • DTXSID3060114
    • RefChem:129809
    • DTXCID2040789
    • 207-940-2
    • cyclooctan-1-one
    • NSC 9475
    • MFCD00001754
    • CHEMBL18737
    • EINECS 207-940-2
    • BRN 1280738
    • cyclooctanon
    • Cycloactanone
    • cyclo-octanone
    • Cyclooctanone, 98%
    • UNII-Z4GO9P8SUZ
    • WLN: L8VTJ
    • 4-07-00-00049 (Beilstein Handbook Reference)
    • SCHEMBL181981
    • orb3030101
    • SCHEMBL4276887
    • SCHEMBL4985795
    • SCHEMBL6397913
    • cyclooctanone; cyclooctan-1-one
    • NSC9475
    • BB_SC-06800
    • STR03048
    • BBL011399
    • BDBM50028793
    • EBC-14666
    • SBB008888
    • STL146503
    • AKOS000119617
    • CS-W007564
    • DB-369971
    • NS00032019
    • ST51046321
    • Cyclooctanone, Vetec(TM) reagent grade, 98%
    • EN300-19677
    • F237170
    • Q20054504
    • F0001-1312
    • Z104474712
    • InChI=1/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H
    • 502-49-8

  • Applications

    Cyclooctanone (CAS 502-49-8) is a cyclic ketone primarily used as an organic synthesis intermediate to access cyclic and lactam-type structures, and it can also serve as a solvent or processing aid in specialized manufacturing. It acts as a building block in polymer chemistry, enabling the preparation of cyclooctane-based monomers and functional materials for coatings and inks. In pharmaceutical and agrochemical contexts, it is considered a synthetic intermediate for ring-containing compounds and related cyclic frameworks. Research in materials science and electronics may leverage Cyclooctanone as a precursor for advanced materials, with use subject to applicable regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 751.93
    methanol 971.08
    isopropanol 542.62
    water 0.63
    ethyl acetate 703.4
    n-propanol 609.7
    acetone 980.55
    n-butanol 496.12
    acetonitrile 889.07
    DMF 992.01
    toluene 417.97
    isobutanol 383.0
    1,4-dioxane 1200.05
    methyl acetate 581.37
    THF 1515.79
    2-butanone 668.5
    n-pentanol 320.99
    sec-butanol 396.52
    n-hexane 185.86
    ethylene glycol 133.13
    NMP 1076.96
    cyclohexane 283.25
    DMSO 1085.59
    n-butyl acetate 680.86
    n-octanol 221.14
    chloroform 3303.15
    n-propyl acetate 438.6
    acetic acid 851.38
    dichloromethane 2322.09
    cyclohexanone 1228.9
    propylene glycol 175.7
    isopropyl acetate 378.96
    DMAc 506.74
    2-ethoxyethanol 370.72
    isopentanol 345.4
    n-heptane 132.12
    ethyl formate 435.55
    1,2-dichloroethane 1183.17
    n-hexanol 446.28
    2-methoxyethanol 684.33
    isobutyl acetate 253.83
    tetrachloromethane 492.02
    n-pentyl acetate 425.95
    transcutol 2077.23
    n-heptanol 204.55
    ethylbenzene 204.81
    MIBK 275.78
    2-propoxyethanol 642.35
    tert-butanol 480.88
    MTBE 364.74
    2-butoxyethanol 354.74
    propionic acid 695.73
    o-xylene 218.02
    formic acid 217.95
    diethyl ether 660.19
    m-xylene 226.6
    p-xylene 262.25
    chlorobenzene 775.89
    dimethyl carbonate 158.79
    n-octane 47.85
    formamide 308.69
    cyclopentanone 1434.46
    2-pentanone 528.67
    anisole 354.15
    cyclopentyl methyl ether 638.32
    gamma-butyrolactone 1626.86
    1-methoxy-2-propanol 508.53
    pyridine 1404.2
    3-pentanone 425.95
    furfural 1209.37
    n-dodecane 31.05
    diethylene glycol 416.98
    diisopropyl ether 164.0
    tert-amyl alcohol 316.78
    acetylacetone 605.86
    n-hexadecane 36.87
    acetophenone 338.46
    methyl propionate 447.96
    isopentyl acetate 474.7
    trichloroethylene 2288.14
    n-nonanol 192.72
    cyclohexanol 526.9
    benzyl alcohol 301.76
    2-ethylhexanol 256.34
    isooctanol 157.89
    dipropyl ether 455.52
    1,2-dichlorobenzene 632.89
    ethyl lactate 160.61
    propylene carbonate 781.01
    n-methylformamide 645.06
    2-pentanol 308.53
    n-pentane 134.74
    1-propoxy-2-propanol 484.38
    1-methoxy-2-propyl acetate 435.35
    2-(2-methoxypropoxy) propanol 318.81
    mesitylene 151.4
    ε-caprolactone 962.2
    p-cymene 142.24
    epichlorohydrin 1269.93
    1,1,1-trichloroethane 1157.8
    2-aminoethanol 300.3
    morpholine-4-carbaldehyde 934.76
    sulfolane 1423.76
    2,2,4-trimethylpentane 41.13
    2-methyltetrahydrofuran 1033.25
    n-hexyl acetate 535.09
    isooctane 36.04
    2-(2-butoxyethoxy)ethanol 509.22
    sec-butyl acetate 259.39
    tert-butyl acetate 334.08
    decalin 91.48
    glycerin 247.05
    diglyme 921.18
    acrylic acid 609.52
    isopropyl myristate 184.04
    n-butyric acid 842.35
    acetyl acetate 447.51
    di(2-ethylhexyl) phthalate 163.67
    ethyl propionate 350.18
    nitromethane 1177.75
    1,2-diethoxyethane 734.43
    benzonitrile 678.46
    trioctyl phosphate 119.48
    1-bromopropane 781.07
    gamma-valerolactone 1376.46
    n-decanol 135.94
    triethyl phosphate 157.15
    4-methyl-2-pentanol 150.46
    propionitrile 737.67
    vinylene carbonate 758.08
    1,1,2-trichlorotrifluoroethane 813.9
    DMS 381.02
    cumene 130.18
    2-octanol 146.11
    2-hexanone 425.35
    octyl acetate 222.71
    limonene 230.03
    1,2-dimethoxyethane 685.34
    ethyl orthosilicate 155.87
    tributyl phosphate 168.21
    diacetone alcohol 336.04
    N,N-dimethylaniline 210.62
    acrylonitrile 900.38
    aniline 515.56
    1,3-propanediol 416.55
    bromobenzene 865.58
    dibromomethane 1690.12
    1,1,2,2-tetrachloroethane 1771.28
    2-methyl-cyclohexyl acetate 271.38
    tetrabutyl urea 202.38
    diisobutyl methanol 163.05
    2-phenylethanol 328.02
    styrene 303.06
    dioctyl adipate 255.93
    dimethyl sulfate 255.76
    ethyl butyrate 412.29
    methyl lactate 205.35
    butyl lactate 299.3
    diethyl carbonate 242.74
    propanediol butyl ether 343.47
    triethyl orthoformate 265.58
    p-tert-butyltoluene 133.47
    methyl 4-tert-butylbenzoate 285.64
    morpholine 1236.32
    tert-butylamine 349.56
    n-dodecanol 101.65
    dimethoxymethane 442.69
    ethylene carbonate 628.54
    cyrene 232.66
    2-ethoxyethyl acetate 493.74
    2-ethylhexyl acetate 384.85
    1,2,4-trichlorobenzene 686.15
    4-methylpyridine 993.72
    dibutyl ether 417.01
    2,6-dimethyl-4-heptanol 163.05
    DEF 566.1
    dimethyl isosorbide 508.61
    tetrachloroethylene 1336.03
    eugenol 266.28
    triacetin 439.2
    span 80 348.1
    1,4-butanediol 147.3
    1,1-dichloroethane 1276.02
    2-methyl-1-pentanol 235.76
    methyl formate 412.31
    2-methyl-1-butanol 310.85
    n-decane 59.94
    butyronitrile 707.98
    3,7-dimethyl-1-octanol 229.49
    1-chlorooctane 210.43
    1-chlorotetradecane 75.03
    n-nonane 65.52
    undecane 40.56
    tert-butylcyclohexane 74.23
    cyclooctane 82.83
    cyclopentanol 646.21
    tetrahydropyran 1247.17
    tert-amyl methyl ether 258.24
    2,5,8-trioxanonane 563.75
    1-hexene 442.45
    2-isopropoxyethanol 269.05
    2,2,2-trifluoroethanol 253.77
    methyl butyrate 481.46

    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