Ethanone, 1-(3-cycloocten-1-yl)-

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  • Identifiers

    CAS number
    32669-00-4

    Molecular formula
    C10H16O

    SMILES
    CC(=O)C1CCCC/C=C\C1

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 64.2%
    Mint 46.47%
    Floral 39.22%
    Woody 38.72%
    Natural 33.77%
    Fruity 31.79%
    Camphoreous 30.14%
    Fresh 29.49%
    Musk 29.3%
    Spicy 28.91%

     

    Flavor
    Minty 35.34%
    Fruity 35.28%
    Mint 29.52%
    Spice 21.15%
    Camphor 20.06%
    Shrimp 19.92%
    Plant 19.47%
    Terpentine 19.46%
    Linalool 19.07%
    Basil 18.88%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.28 (weak base)

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    219°C

    Flash point

    • 89.23 ˚C est.

  • Synonyms

    • Ethanone, 1-(3-cycloocten-1-yl)-
    • 32669-00-4
    • DTXSID10885542
    • SCHEMBL621700
    • OTAKUJWURRXKOW-HYXAFXHYSA-N
    • DTXCID101024909

  • Applications

    Chemical name: Ethanone, 1-(3-cycloocten-1-yl)-; CAS number: 32669-00-4 is mainly used as an intermediate in organic synthesis to access cyclic ketone derivatives and other specialty chemicals. It may serve in fragrance and perfumery as a fragrance intermediate or odorant, and in cosmetics/personal care formulations under regulatory controls. It can function as a building block for polymers and plastics, including functionalized monomers or modifiers in specialty polymers. In coatings and inks it is used as a reactive intermediate for specialty formulations. It is also evaluated as a precursor in pharmaceutical and agrochemical syntheses, and, in research contexts, as a candidate for advanced materials and organic electronic applications under appropriate regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 860.84
    methanol 736.85
    isopropanol 798.99
    water 0.84
    ethyl acetate 610.19
    n-propanol 708.15
    acetone 727.03
    n-butanol 630.91
    acetonitrile 907.85
    DMF 831.41
    toluene 506.69
    isobutanol 500.35
    1,4-dioxane 1272.91
    methyl acetate 544.37
    THF 1108.25
    2-butanone 627.96
    n-pentanol 371.96
    sec-butanol 547.16
    n-hexane 142.67
    ethylene glycol 129.82
    NMP 649.12
    cyclohexane 324.5
    DMSO 987.98
    n-butyl acetate 561.0
    n-octanol 263.96
    chloroform 2653.99
    n-propyl acetate 315.56
    acetic acid 478.9
    dichloromethane 2293.68
    cyclohexanone 968.64
    propylene glycol 197.61
    isopropyl acetate 344.31
    DMAc 486.3
    2-ethoxyethanol 335.24
    isopentanol 486.75
    n-heptane 143.68
    ethyl formate 402.17
    1,2-dichloroethane 1036.35
    n-hexanol 583.35
    2-methoxyethanol 574.8
    isobutyl acetate 206.02
    tetrachloromethane 423.48
    n-pentyl acetate 299.25
    transcutol 1628.49
    n-heptanol 250.33
    ethylbenzene 234.54
    MIBK 296.15
    2-propoxyethanol 593.38
    tert-butanol 707.21
    MTBE 459.2
    2-butoxyethanol 343.76
    propionic acid 497.04
    o-xylene 275.21
    formic acid 114.27
    diethyl ether 683.07
    m-xylene 302.81
    p-xylene 263.28
    chlorobenzene 662.04
    dimethyl carbonate 145.98
    n-octane 51.0
    formamide 190.98
    cyclopentanone 909.44
    2-pentanone 524.56
    anisole 388.77
    cyclopentyl methyl ether 552.88
    gamma-butyrolactone 945.52
    1-methoxy-2-propanol 500.65
    pyridine 1073.3
    3-pentanone 374.55
    furfural 774.3
    n-dodecane 40.93
    diethylene glycol 369.15
    diisopropyl ether 186.59
    tert-amyl alcohol 440.05
    acetylacetone 458.03
    n-hexadecane 46.82
    acetophenone 320.55
    methyl propionate 387.3
    isopentyl acetate 416.94
    trichloroethylene 1795.13
    n-nonanol 219.27
    cyclohexanol 617.39
    benzyl alcohol 310.36
    2-ethylhexanol 310.92
    isooctanol 195.61
    dipropyl ether 397.47
    1,2-dichlorobenzene 519.02
    ethyl lactate 149.32
    propylene carbonate 553.17
    n-methylformamide 410.06
    2-pentanol 410.96
    n-pentane 166.07
    1-propoxy-2-propanol 476.52
    1-methoxy-2-propyl acetate 390.8
    2-(2-methoxypropoxy) propanol 340.74
    mesitylene 193.06
    ε-caprolactone 714.66
    p-cymene 173.41
    epichlorohydrin 995.33
    1,1,1-trichloroethane 1037.0
    2-aminoethanol 289.52
    morpholine-4-carbaldehyde 712.9
    sulfolane 939.16
    2,2,4-trimethylpentane 55.85
    2-methyltetrahydrofuran 911.34
    n-hexyl acetate 423.21
    isooctane 55.55
    2-(2-butoxyethoxy)ethanol 480.24
    sec-butyl acetate 209.42
    tert-butyl acetate 315.4
    decalin 98.81
    glycerin 219.35
    diglyme 794.54
    acrylic acid 373.32
    isopropyl myristate 174.91
    n-butyric acid 701.77
    acetyl acetate 325.03
    di(2-ethylhexyl) phthalate 162.76
    ethyl propionate 267.41
    nitromethane 699.81
    1,2-diethoxyethane 570.59
    benzonitrile 587.16
    trioctyl phosphate 126.86
    1-bromopropane 886.04
    gamma-valerolactone 935.35
    n-decanol 163.44
    triethyl phosphate 155.04
    4-methyl-2-pentanol 225.78
    propionitrile 732.67
    vinylene carbonate 541.48
    1,1,2-trichlorotrifluoroethane 545.01
    DMS 286.07
    cumene 160.9
    2-octanol 175.01
    2-hexanone 352.28
    octyl acetate 214.42
    limonene 263.79
    1,2-dimethoxyethane 640.66
    ethyl orthosilicate 149.12
    tributyl phosphate 153.35
    diacetone alcohol 326.32
    N,N-dimethylaniline 244.62
    acrylonitrile 760.34
    aniline 495.03
    1,3-propanediol 380.55
    bromobenzene 755.82
    dibromomethane 1727.97
    1,1,2,2-tetrachloroethane 1284.3
    2-methyl-cyclohexyl acetate 252.11
    tetrabutyl urea 192.14
    diisobutyl methanol 190.7
    2-phenylethanol 324.91
    styrene 322.17
    dioctyl adipate 237.6
    dimethyl sulfate 224.92
    ethyl butyrate 363.76
    methyl lactate 181.44
    butyl lactate 226.66
    diethyl carbonate 244.43
    propanediol butyl ether 336.26
    triethyl orthoformate 231.96
    p-tert-butyltoluene 161.88
    methyl 4-tert-butylbenzoate 296.71
    morpholine 1244.66
    tert-butylamine 522.25
    n-dodecanol 128.37
    dimethoxymethane 437.37
    ethylene carbonate 457.01
    cyrene 247.57
    2-ethoxyethyl acetate 371.15
    2-ethylhexyl acetate 324.39
    1,2,4-trichlorobenzene 549.09
    4-methylpyridine 863.72
    dibutyl ether 335.71
    2,6-dimethyl-4-heptanol 190.7
    DEF 479.46
    dimethyl isosorbide 495.78
    tetrachloroethylene 869.55
    eugenol 277.47
    triacetin 368.58
    span 80 329.82
    1,4-butanediol 149.77
    1,1-dichloroethane 1247.02
    2-methyl-1-pentanol 297.59
    methyl formate 301.25
    2-methyl-1-butanol 425.63
    n-decane 66.28
    butyronitrile 764.23
    3,7-dimethyl-1-octanol 246.81
    1-chlorooctane 218.78
    1-chlorotetradecane 91.11
    n-nonane 70.29
    undecane 50.35
    tert-butylcyclohexane 81.36
    cyclooctane 92.49
    cyclopentanol 600.06
    tetrahydropyran 1259.91
    tert-amyl methyl ether 286.44
    2,5,8-trioxanonane 544.25
    1-hexene 387.84
    2-isopropoxyethanol 260.44
    2,2,2-trifluoroethanol 144.91
    methyl butyrate 378.18

    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