1-Acetylcyclohexene

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  • Identifiers

    CAS number
    932-66-1

    Molecular formula
    C8H12O

    SMILES
    CC(=O)C1=CCCCC1

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1023.0

  • Odor profile

    Fruity 59.09%
    Floral 50.05%
    Mint 48.87%
    Herbal 47.18%
    Ketonic 38.04%
    Woody 31.82%
    Sweet 31.04%
    Green 30.73%
    Camphoreous 28.2%
    Hay 27.97%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    8.74 (weak base)

    Molecular weight
    124.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    192°C

    Flash point est.
    64.62 ˚C

  • Synonyms

    • 1-Acetyl-1-cyclohexene
    • 932-66-1
    • 1-Acetylcyclohexene
    • 1-(cyclohex-1-en-1-yl)ethanone
    • 1-(cyclohexen-1-yl)ethanone
    • Ethanone, 1-(1-cyclohexen-1-yl)-
    • Methyl 1-cyclohexenyl ketone
    • Ketone, 1-cyclohexen-1-yl methyl
    • 1-Cyclohexen-1-yl methyl ketone
    • Cyclohex-1-enylmethylketone
    • 1-(cyclohex-1-en-1-yl)ethan-1-one
    • 1-(1-CYCLOHEXEN-1-YL)ETHANONE
    • 7539U6WQBL
    • EINECS 213-256-5
    • NSC-12216
    • 1-cyclohex-1-enyl-ethanone
    • 1-cyclohexenyl methyl ketone
    • 1-(1-cyclohexenyl)-ethanone
    • 1-cyclohex-1-en-1-ylethanone
    • 1-CYCLOHEXEN-1-YLETHANONE
    • MFCD00001547
    • NSC 12216
    • 88449-93-8
    • UNII-7539U6WQBL
    • Ethanone, 1-(cyclohexen-1-yl)-
    • 1Acetyl1cyclohexene
    • cyclohexenyl-ethanone
    • 1-acetyl-cyclohexene
    • 1-acetyl1-cyclohexene
    • Cyclohex1enylmethylketone
    • SCHEMBL310711
    • ghl.PD_Mitscher_leg0.1062
    • 1-Acetyl-1-cyclohexene, 97%
    • CHEMBL5279035
    • DTXSID50862478
    • 1-(1-Cyclohexen-1-yl)ethanone #
    • NSC12216
    • AKOS009158669
    • BS-51056
    • SY012913
    • DB-057388
    • CS-0155078
    • NS00042241
    • E76703
    • EN300-108706
    • Q27266337
    • 213-256-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1371.48
    methanol 1574.57
    isopropanol 1221.21
    water 2.82
    ethyl acetate 946.95
    n-propanol 1256.39
    acetone 1362.08
    n-butanol 993.92
    acetonitrile 1772.53
    DMF 1680.84
    toluene 767.1
    isobutanol 905.05
    1,4-dioxane 2415.46
    methyl acetate 1048.09
    THF 2019.72
    2-butanone 1154.97
    n-pentanol 687.14
    sec-butanol 979.35
    n-hexane 309.64
    ethylene glycol 260.75
    NMP 1619.18
    cyclohexane 348.74
    DMSO 1598.57
    n-butyl acetate 619.64
    n-octanol 504.7
    chloroform 3727.1
    n-propyl acetate 564.59
    acetic acid 881.52
    dichloromethane 2836.07
    cyclohexanone 1532.1
    propylene glycol 343.61
    isopropyl acetate 540.2
    DMAc 801.42
    2-ethoxyethanol 754.33
    isopentanol 783.7
    n-heptane 140.5
    ethyl formate 559.0
    1,2-dichloroethane 1564.07
    n-hexanol 816.68
    2-methoxyethanol 1149.93
    isobutyl acetate 365.67
    tetrachloromethane 651.65
    n-pentyl acetate 485.07
    transcutol 2593.84
    n-heptanol 417.81
    ethylbenzene 381.41
    MIBK 529.02
    2-propoxyethanol 1016.25
    tert-butanol 1134.5
    MTBE 945.86
    2-butoxyethanol 605.96
    propionic acid 993.57
    o-xylene 396.24
    formic acid 275.19
    diethyl ether 1167.67
    m-xylene 468.2
    p-xylene 436.12
    chlorobenzene 981.51
    dimethyl carbonate 281.67
    n-octane 74.64
    formamide 381.94
    cyclopentanone 1685.93
    2-pentanone 890.68
    anisole 676.6
    cyclopentyl methyl ether 1092.2
    gamma-butyrolactone 1693.7
    1-methoxy-2-propanol 975.14
    pyridine 1743.61
    3-pentanone 661.28
    furfural 1260.43
    n-dodecane 59.86
    diethylene glycol 676.61
    diisopropyl ether 339.58
    tert-amyl alcohol 822.71
    acetylacetone 811.62
    n-hexadecane 68.49
    acetophenone 519.82
    methyl propionate 698.29
    isopentyl acetate 509.38
    trichloroethylene 2614.06
    n-nonanol 394.77
    cyclohexanol 883.35
    benzyl alcohol 508.01
    2-ethylhexanol 430.91
    isooctanol 340.29
    dipropyl ether 516.35
    1,2-dichlorobenzene 733.99
    ethyl lactate 266.58
    propylene carbonate 784.0
    n-methylformamide 935.78
    2-pentanol 680.03
    n-pentane 242.37
    1-propoxy-2-propanol 681.2
    1-methoxy-2-propyl acetate 519.48
    2-(2-methoxypropoxy) propanol 527.64
    mesitylene 287.57
    ε-caprolactone 1165.44
    p-cymene 196.55
    epichlorohydrin 1802.35
    1,1,1-trichloroethane 1629.37
    2-aminoethanol 568.33
    morpholine-4-carbaldehyde 1410.95
    sulfolane 1748.84
    2,2,4-trimethylpentane 97.41
    2-methyltetrahydrofuran 1623.16
    n-hexyl acetate 782.24
    isooctane 90.69
    2-(2-butoxyethoxy)ethanol 828.76
    sec-butyl acetate 385.84
    tert-butyl acetate 561.71
    decalin 155.18
    glycerin 413.08
    diglyme 1334.39
    acrylic acid 814.47
    isopropyl myristate 269.79
    n-butyric acid 991.27
    acetyl acetate 492.19
    di(2-ethylhexyl) phthalate 226.11
    ethyl propionate 480.19
    nitromethane 1474.12
    1,2-diethoxyethane 853.93
    benzonitrile 851.56
    trioctyl phosphate 177.13
    1-bromopropane 1301.32
    gamma-valerolactone 1719.04
    n-decanol 276.09
    triethyl phosphate 185.18
    4-methyl-2-pentanol 358.81
    propionitrile 1295.71
    vinylene carbonate 730.39
    1,1,2-trichlorotrifluoroethane 916.87
    DMS 490.61
    cumene 259.09
    2-octanol 338.31
    2-hexanone 653.16
    octyl acetate 352.94
    limonene 291.17
    1,2-dimethoxyethane 1158.04
    ethyl orthosilicate 191.97
    tributyl phosphate 210.23
    diacetone alcohol 590.46
    N,N-dimethylaniline 412.22
    acrylonitrile 1461.34
    aniline 867.05
    1,3-propanediol 665.41
    bromobenzene 1099.71
    dibromomethane 2046.67
    1,1,2,2-tetrachloroethane 2082.47
    2-methyl-cyclohexyl acetate 315.14
    tetrabutyl urea 265.12
    diisobutyl methanol 247.84
    2-phenylethanol 488.63
    styrene 524.74
    dioctyl adipate 326.15
    dimethyl sulfate 452.55
    ethyl butyrate 413.95
    methyl lactate 349.13
    butyl lactate 333.12
    diethyl carbonate 258.14
    propanediol butyl ether 599.49
    triethyl orthoformate 269.11
    p-tert-butyltoluene 191.83
    methyl 4-tert-butylbenzoate 445.93
    morpholine 2316.96
    tert-butylamine 811.02
    n-dodecanol 210.12
    dimethoxymethane 812.85
    ethylene carbonate 604.53
    cyrene 369.38
    2-ethoxyethyl acetate 565.77
    2-ethylhexyl acetate 381.12
    1,2,4-trichlorobenzene 829.85
    4-methylpyridine 1575.18
    dibutyl ether 549.0
    2,6-dimethyl-4-heptanol 247.84
    DEF 907.6
    dimethyl isosorbide 666.45
    tetrachloroethylene 1374.06
    eugenol 457.32
    triacetin 522.7
    span 80 501.31
    1,4-butanediol 314.27
    1,1-dichloroethane 2004.66
    2-methyl-1-pentanol 544.4
    methyl formate 600.19
    2-methyl-1-butanol 759.25
    n-decane 103.42
    butyronitrile 1158.46
    3,7-dimethyl-1-octanol 394.33
    1-chlorooctane 373.25
    1-chlorotetradecane 140.98
    n-nonane 113.46
    undecane 75.5
    tert-butylcyclohexane 153.84
    cyclooctane 114.24
    cyclopentanol 1016.51
    tetrahydropyran 1936.07
    tert-amyl methyl ether 586.69
    2,5,8-trioxanonane 802.69
    1-hexene 761.44
    2-isopropoxyethanol 556.59
    2,2,2-trifluoroethanol 276.54
    methyl butyrate 642.69

    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
Zanthoxylum bungeanum (China) Zanthoxylum bungeanum Maxim., fam. Rutaceae 0.12%
Nepeta persica (Iran) Nepeta persica Boiss, fam. Lamiaceae (Labiatae) 3.7%