Cyclohexanone, 2-hexylidene-

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  • Identifiers

    CAS number
    16429-07-5

    Molecular formula
    C12H20O

    SMILES
    CCCCCC=C1CCCCC1=O

  • Odor profile

    Fragrance
    Fruity 86.74%
    Floral 86.33%
    Jasmin 82.3%
    Herbal 64.32%
    Green 60.46%
    Fresh 50.73%
    Sweet 49.48%
    Spicy 49.22%
    Waxy 48.68%
    Woody 47.51%

     

    Flavor
    Herbal 66.82%
    Fresh 48.87%
    Woody 39.47%
    Fatty 38.73%
    Spicy 38.38%
    Jasmin 36.64%
    Spice 33.04%
    Celery 32.15%
    Floral 29.91%
    Waxy 29.33%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.4 (weak base)

    Molecular weight
    180.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    257°C

    Flash point

    • 104.97 ˚C est.

  • Synonyms

    • 2-Hexylidenecyclohexan-1-one
    • Cyclohexanone, 2-hexylidene-
    • 16429-07-5
    • EINECS 240-481-6
    • DTXSID3066053
    • 2-hexylidene cyclohexan-1-one
    • DTXCID2035277
    • VDZBUTVYLIWRCT-UHFFFAOYSA-N
    • DB-286409
    • NS00012610
    • 240-481-6

  • Applications

    Cyclohexanone, 2-hexylidene- (CAS 16429-07-5) is primarily used as an organic-synthesis intermediate and building block to access more complex cyclohexanone-derived structures; in industry it is commonly evaluated as a precursor in fragrance and flavor chemistry and as a pharmaceutical and agrochemical intermediate; it can serve as a reactive core in polymer and resin formulations, functioning as a monomer or crosslinking partner in specialty coatings and adhesives; it is also used in synthetic routes to heterocycles and other fine chemicals in research and development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 5688.16
    methanol 4897.86
    isopropanol 5784.26
    water 0.09
    ethyl acetate 8962.73
    n-propanol 4865.27
    acetone 13008.08
    n-butanol 4985.78
    acetonitrile 9724.17
    DMF 7089.05
    toluene 3832.05
    isobutanol 4100.31
    1,4-dioxane 7434.07
    methyl acetate 5627.0
    THF 7477.86
    2-butanone 7974.73
    n-pentanol 2730.52
    sec-butanol 4229.35
    n-hexane 1516.11
    ethylene glycol 274.9
    NMP 3519.0
    cyclohexane 2035.1
    DMSO 5283.32
    n-butyl acetate 6841.21
    n-octanol 1269.81
    chloroform 12691.35
    n-propyl acetate 4567.18
    acetic acid 3099.82
    dichloromethane 11389.63
    cyclohexanone 9072.84
    propylene glycol 568.24
    isopropyl acetate 5118.03
    DMAc 3264.62
    2-ethoxyethanol 2407.7
    isopentanol 4574.47
    n-heptane 543.37
    ethyl formate 3391.25
    1,2-dichloroethane 9072.37
    n-hexanol 3495.99
    2-methoxyethanol 4378.94
    isobutyl acetate 2441.84
    tetrachloromethane 1859.58
    n-pentyl acetate 3162.3
    transcutol 13655.43
    n-heptanol 1213.35
    ethylbenzene 1755.77
    MIBK 3509.16
    2-propoxyethanol 3840.39
    tert-butanol 5924.41
    MTBE 8234.89
    2-butoxyethanol 1949.99
    propionic acid 2657.89
    o-xylene 1502.0
    formic acid 440.09
    diethyl ether 10988.21
    m-xylene 1922.75
    p-xylene 1842.66
    chlorobenzene 4644.45
    dimethyl carbonate 1198.06
    n-octane 222.27
    formamide 953.33
    cyclopentanone 6881.74
    2-pentanone 7863.78
    anisole 2687.84
    cyclopentyl methyl ether 4917.86
    gamma-butyrolactone 5905.71
    1-methoxy-2-propanol 3685.43
    pyridine 8668.82
    3-pentanone 4626.76
    furfural 4102.11
    n-dodecane 134.44
    diethylene glycol 1513.1
    diisopropyl ether 2569.0
    tert-amyl alcohol 4107.62
    acetylacetone 5356.76
    n-hexadecane 166.07
    acetophenone 2112.92
    methyl propionate 4495.91
    isopentyl acetate 5091.37
    trichloroethylene 13494.63
    n-nonanol 1079.48
    cyclohexanol 4245.93
    benzyl alcohol 1793.58
    2-ethylhexanol 2139.99
    isooctanol 1088.84
    dipropyl ether 3507.92
    1,2-dichlorobenzene 3333.66
    ethyl lactate 857.72
    propylene carbonate 3150.62
    n-methylformamide 3067.24
    2-pentanol 3935.17
    n-pentane 1135.25
    1-propoxy-2-propanol 3107.37
    1-methoxy-2-propyl acetate 3481.27
    2-(2-methoxypropoxy) propanol 1690.13
    mesitylene 1163.75
    ε-caprolactone 6185.33
    p-cymene 763.36
    epichlorohydrin 7485.8
    1,1,1-trichloroethane 8002.23
    2-aminoethanol 964.38
    morpholine-4-carbaldehyde 3984.36
    sulfolane 4551.24
    2,2,4-trimethylpentane 323.79
    2-methyltetrahydrofuran 7258.96
    n-hexyl acetate 3633.63
    isooctane 347.45
    2-(2-butoxyethoxy)ethanol 2665.22
    sec-butyl acetate 2785.67
    tert-butyl acetate 4123.03
    decalin 625.34
    glycerin 655.67
    diglyme 4907.47
    acrylic acid 1707.19
    isopropyl myristate 1119.24
    n-butyric acid 5850.97
    acetyl acetate 3261.51
    di(2-ethylhexyl) phthalate 721.62
    ethyl propionate 3457.24
    nitromethane 5700.88
    1,2-diethoxyethane 6902.4
    benzonitrile 3770.76
    trioctyl phosphate 567.71
    1-bromopropane 7035.05
    gamma-valerolactone 6789.15
    n-decanol 753.16
    triethyl phosphate 736.77
    4-methyl-2-pentanol 1783.8
    propionitrile 6760.16
    vinylene carbonate 2836.96
    1,1,2-trichlorotrifluoroethane 3397.97
    DMS 2029.66
    cumene 929.39
    2-octanol 995.43
    2-hexanone 4432.89
    octyl acetate 1341.87
    limonene 1368.49
    1,2-dimethoxyethane 5765.82
    ethyl orthosilicate 793.53
    tributyl phosphate 830.73
    diacetone alcohol 2797.93
    N,N-dimethylaniline 1362.2
    acrylonitrile 6006.35
    aniline 3707.19
    1,3-propanediol 2025.16
    bromobenzene 5159.53
    dibromomethane 8702.89
    1,1,2,2-tetrachloroethane 10045.97
    2-methyl-cyclohexyl acetate 1507.14
    tetrabutyl urea 994.13
    diisobutyl methanol 1093.0
    2-phenylethanol 1881.59
    styrene 2719.84
    dioctyl adipate 1299.24
    dimethyl sulfate 1328.32
    ethyl butyrate 3144.86
    methyl lactate 1031.49
    butyl lactate 1554.85
    diethyl carbonate 1610.26
    propanediol butyl ether 1610.29
    triethyl orthoformate 1605.79
    p-tert-butyltoluene 724.06
    methyl 4-tert-butylbenzoate 1375.26
    morpholine 9423.74
    tert-butylamine 4485.38
    n-dodecanol 552.96
    dimethoxymethane 4392.18
    ethylene carbonate 2744.17
    cyrene 889.12
    2-ethoxyethyl acetate 3500.56
    2-ethylhexyl acetate 3541.2
    1,2,4-trichlorobenzene 3336.67
    4-methylpyridine 9015.65
    dibutyl ether 3607.53
    2,6-dimethyl-4-heptanol 1093.0
    DEF 6313.79
    dimethyl isosorbide 2186.16
    tetrachloroethylene 5995.44
    eugenol 1302.45
    triacetin 2035.57
    span 80 1542.55
    1,4-butanediol 630.43
    1,1-dichloroethane 11088.25
    2-methyl-1-pentanol 2479.36
    methyl formate 1944.98
    2-methyl-1-butanol 4027.64
    n-decane 266.24
    butyronitrile 7800.37
    3,7-dimethyl-1-octanol 1442.63
    1-chlorooctane 1254.46
    1-chlorotetradecane 412.6
    n-nonane 285.89
    undecane 181.81
    tert-butylcyclohexane 546.15
    cyclooctane 520.98
    cyclopentanol 3033.84
    tetrahydropyran 11356.52
    tert-amyl methyl ether 4003.55
    2,5,8-trioxanonane 2571.74
    1-hexene 4624.02
    2-isopropoxyethanol 1978.71
    2,2,2-trifluoroethanol 602.55
    methyl butyrate 5062.03

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 0.023 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.26 %
Category 2
Products applied to the axillae
 0.0069 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.26 %
Category 3
Products applied to the face/body using fingertips
 0.14 % Category 8
Products with significant anogenital exposure
 0.014 %
Category 4
Products related to fine fragrance
 0.13 % Category 9
Products with body and hand exposure, primarily rinse off
 0.25 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 0.033 % Category 10A
Household care products with mostly hand contact
 0.9 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.033 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 0.9 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.033 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.5 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.033 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.5 %
Category 6
Products with oral and lip exposure
 0.076 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction