Bicyclohexyliden-2-one

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  • Identifiers

    CAS number
    1011-12-7

    Molecular formula
    C12H18O

    SMILES
    C1CCC(=C2CCCCC2=O)CC1

    Safety labels

  • Odor profile

    Fragrance
    Woody 63.77%
    Fruity 54.45%
    Floral 49.13%
    Mint 42.54%
    Animal 37.07%
    Musk 36.9%
    Tobacco 34.46%
    Fresh 34.06%
    Sweet 33.18%
    Jasmin 32.7%

     

    Flavor
    Animal 32.16%
    Minty 26.1%
    Shrimp 21.65%
    Alkaline 20.78%
    Lovage 20.64%
    Basil 20.25%
    Soil 20.23%
    Maple syrup 19.96%
    Outdoor 19.89%
    Ripe apricot 19.78%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.63 (weak base)

    Molecular weight
    178.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    282°C

    Flash point

    • 113.16 ˚C est.

  • Synonyms

    • 1011-12-7
    • 2-CYCLOHEXYLIDENECYCLOHEXANONE
    • Bicyclohexyliden-2-one
    • Cyclohexanone, 2-cyclohexylidene-
    • Dianon
    • G1VAK47QOV
    • EINECS 213-779-9
    • NSC 61652
    • NSC-61652
    • AI3-04026
    • DTXSID30862512
    • RefChem:568318
    • DTXCID30811262
    • 213-779-9
    • [1,1'-Bi(cyclohexylidene)]-2-one
    • 2-cyclohexylidenecyclohexan-1-one
    • Cyclohexanone, cyclohexylidene-
    • Cyclohexylidenecyclohexanone
    • 2-Cyclohexylidene-cyclohexanone
    • MFCD19443386
    • 35255-48-2
    • UNII-G1VAK47QOV
    • 2-Cyclohexylidenecyclohexanone; Dianon; Bicyclohexyliden-2-one
    • cyclohexylidene cyclohexanone
    • SCHEMBL131908
    • 2-cyclohexylidene cyclohexanone
    • NSC61652
    • [1,1'-Bi(cyclohexyliden)]-2-one
    • AKOS028108380
    • SY502864
    • DB-286406
    • NS00012167
    • A10844
    • Q27278621
    • [1,1 inverted exclamation mark -Bi(cyclohexylidene)]-2-one
    • 1011-12-7

  • Applications

    Bicyclohexyliden-2-one (CAS 1011-12-7) is primarily used as an organic synthesis intermediate and building block for specialty chemicals; in industry it may serve as a precursor or crosslinking component in polymers and high-performance plastics; it is often evaluated as a resin intermediate for coatings and UV-curable inks; it can be employed as a resin-forming ingredient in adhesives and sealants; and in research and development, it provides a versatile scaffold for the synthesis of novel materials and functionalized derivatives, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 490.21
    methanol 444.14
    isopropanol 535.15
    water 0.34
    ethyl acetate 745.75
    n-propanol 539.61
    acetone 1188.2
    n-butanol 505.22
    acetonitrile 1091.79
    DMF 1533.44
    toluene 771.33
    isobutanol 442.54
    1,4-dioxane 1306.26
    methyl acetate 777.11
    THF 1491.35
    2-butanone 960.26
    n-pentanol 280.3
    sec-butanol 401.0
    n-hexane 89.39
    ethylene glycol 72.76
    NMP 1203.08
    cyclohexane 241.37
    DMSO 811.52
    n-butyl acetate 731.88
    n-octanol 287.5
    chloroform 4400.76
    n-propyl acetate 528.75
    acetic acid 534.19
    dichloromethane 3675.31
    cyclohexanone 1923.83
    propylene glycol 108.23
    isopropyl acetate 506.17
    DMAc 797.76
    2-ethoxyethanol 316.33
    isopentanol 436.7
    n-heptane 79.57
    ethyl formate 759.86
    1,2-dichloroethane 1961.81
    n-hexanol 396.93
    2-methoxyethanol 630.14
    isobutyl acetate 328.18
    tetrachloromethane 546.64
    n-pentyl acetate 527.9
    transcutol 1311.55
    n-heptanol 250.06
    ethylbenzene 343.25
    MIBK 453.63
    2-propoxyethanol 525.11
    tert-butanol 497.87
    MTBE 443.02
    2-butoxyethanol 400.05
    propionic acid 569.88
    o-xylene 391.85
    formic acid 99.45
    diethyl ether 608.54
    m-xylene 424.47
    p-xylene 416.0
    chlorobenzene 1354.88
    dimethyl carbonate 315.84
    n-octane 48.43
    formamide 233.61
    cyclopentanone 1894.23
    2-pentanone 784.03
    anisole 566.85
    cyclopentyl methyl ether 724.66
    gamma-butyrolactone 1942.46
    1-methoxy-2-propanol 502.5
    pyridine 2163.33
    3-pentanone 607.42
    furfural 1536.11
    n-dodecane 40.82
    diethylene glycol 307.63
    diisopropyl ether 188.24
    tert-amyl alcohol 348.84
    acetylacetone 820.81
    n-hexadecane 49.39
    acetophenone 561.11
    methyl propionate 613.8
    isopentyl acetate 586.9
    trichloroethylene 4036.96
    n-nonanol 235.31
    cyclohexanol 620.98
    benzyl alcohol 431.04
    2-ethylhexanol 276.48
    isooctanol 217.42
    dipropyl ether 359.27
    1,2-dichlorobenzene 1053.78
    ethyl lactate 219.33
    propylene carbonate 1200.32
    n-methylformamide 777.03
    2-pentanol 330.97
    n-pentane 86.86
    1-propoxy-2-propanol 430.1
    1-methoxy-2-propyl acetate 475.85
    2-(2-methoxypropoxy) propanol 324.31
    mesitylene 273.42
    ε-caprolactone 1319.01
    p-cymene 215.86
    epichlorohydrin 1883.36
    1,1,1-trichloroethane 1761.37
    2-aminoethanol 180.33
    morpholine-4-carbaldehyde 1084.06
    sulfolane 1587.9
    2,2,4-trimethylpentane 39.31
    2-methyltetrahydrofuran 1075.51
    n-hexyl acetate 693.75
    isooctane 37.97
    2-(2-butoxyethoxy)ethanol 477.72
    sec-butyl acetate 320.33
    tert-butyl acetate 445.0
    decalin 94.65
    glycerin 163.21
    diglyme 944.14
    acrylic acid 503.35
    isopropyl myristate 259.01
    n-butyric acid 898.59
    acetyl acetate 519.17
    di(2-ethylhexyl) phthalate 201.06
    ethyl propionate 432.06
    nitromethane 1157.55
    1,2-diethoxyethane 588.72
    benzonitrile 1031.78
    trioctyl phosphate 159.43
    1-bromopropane 1008.07
    gamma-valerolactone 1812.67
    n-decanol 171.95
    triethyl phosphate 215.39
    4-methyl-2-pentanol 193.28
    propionitrile 1009.03
    vinylene carbonate 1130.82
    1,1,2-trichlorotrifluoroethane 932.52
    DMS 472.26
    cumene 216.63
    2-octanol 199.72
    2-hexanone 508.78
    octyl acetate 333.39
    limonene 292.66
    1,2-dimethoxyethane 787.89
    ethyl orthosilicate 192.62
    tributyl phosphate 198.65
    diacetone alcohol 429.74
    N,N-dimethylaniline 335.24
    acrylonitrile 1268.81
    aniline 777.29
    1,3-propanediol 344.32
    bromobenzene 1519.07
    dibromomethane 2372.4
    1,1,2,2-tetrachloroethane 2797.93
    2-methyl-cyclohexyl acetate 330.3
    tetrabutyl urea 275.49
    diisobutyl methanol 185.72
    2-phenylethanol 405.33
    styrene 510.89
    dioctyl adipate 335.23
    dimethyl sulfate 427.7
    ethyl butyrate 486.44
    methyl lactate 279.48
    butyl lactate 327.47
    diethyl carbonate 339.57
    propanediol butyl ether 344.88
    triethyl orthoformate 306.74
    p-tert-butyltoluene 194.32
    methyl 4-tert-butylbenzoate 448.58
    morpholine 1299.51
    tert-butylamine 351.59
    n-dodecanol 132.34
    dimethoxymethane 700.41
    ethylene carbonate 992.61
    cyrene 307.25
    2-ethoxyethyl acetate 522.79
    2-ethylhexyl acetate 450.99
    1,2,4-trichlorobenzene 1100.84
    4-methylpyridine 1748.48
    dibutyl ether 424.19
    2,6-dimethyl-4-heptanol 185.72
    DEF 836.72
    dimethyl isosorbide 585.33
    tetrachloroethylene 1768.21
    eugenol 389.87
    triacetin 495.64
    span 80 330.88
    1,4-butanediol 123.27
    1,1-dichloroethane 2004.04
    2-methyl-1-pentanol 256.72
    methyl formate 632.62
    2-methyl-1-butanol 384.29
    n-decane 70.49
    butyronitrile 1061.07
    3,7-dimethyl-1-octanol 260.05
    1-chlorooctane 304.06
    1-chlorotetradecane 110.65
    n-nonane 71.36
    undecane 51.75
    tert-butylcyclohexane 74.67
    cyclooctane 73.76
    cyclopentanol 706.76
    tetrahydropyran 1347.76
    tert-amyl methyl ether 297.04
    2,5,8-trioxanonane 564.58
    1-hexene 295.13
    2-isopropoxyethanol 245.17
    2,2,2-trifluoroethanol 212.05
    methyl butyrate 674.79

    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