3,3-Dimethylcyclohexyl methyl ketone

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  • Identifiers

    CAS number
    25304-14-7

    Molecular formula
    C10H18O

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

  • Odor profile

    Fragrance
    Herbal 71.25%
    Woody 65.57%
    Mint 64.87%
    Camphoreous 63.84%
    Earthy 39.17%
    Fruity 38.83%
    Ketonic 38.36%
    Fresh 35.08%
    Pine 34.81%
    Tobacco 34.18%

     

    Flavor
    Fruity 53.54%
    Woody 51.04%
    Sweet 40.91%
    Camphor 36.17%
    Herbal 35.87%
    Minty 30.5%
    Earthy 29.37%
    Dry 26.58%
    Musty 26.35%
    Tobacco 25.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    8.93 (weak base)

    Molecular weight
    154.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point

    • 74.85 ˚C est.

  • Synonyms

    • Herbac
    • 25304-14-7
    • 3,3-Dimethylcyclohexyl methyl ketone
    • 1-(3,3-dimethylcyclohexyl)ethanone
    • 1-(3,3-Dimethylcyclohexyl)ethan-1-one
    • Ethanone, 1-(3,3-dimethylcyclohexyl)-
    • 1-acetyl-3,3-dimethylcyclohexane
    • 3,3-Dimethyl cyclohexyl methyl ketone
    • MH1R8F7762
    • EINECS 246-799-1
    • DTXSID2051924
    • 3,3-DIMETHYLCYCLOHEXYL METHYL KETONE, (+/-)-
    • UNII-MH1R8F7762
    • SCHEMBL715584
    • DTXCID7030486
    • 1-acetyl-3,3,-dimethylcyclohexane
    • 1-acetyl-3,3-dimethyl cyclohexane
    • 1-(3,3-dimethylcyclohexyl)-ethanone
    • AKOS006272199
    • 1-(3,3-dimethyl-cyclohexyl)-ethanone
    • NS00012292
    • EN300-1869993
    • Q27284021
    • 246-799-1

  • Applications

    3,3-Dimethylcyclohexyl methyl ketone (CAS 25304-14-7) is principally used as an aroma-chemical intermediate and building block in fragrance chemistry, often contributing musk-like or floral notes and enabling the synthesis of more complex fragrance ingredients. In cosmetics and personal care, it may be employed as a fragrance component within formulations; in household products, it serves as an odorant to impart or mask scents in cleaners and air fresheners. The compound is also evaluated for use in coatings, inks, and other industrial formulations as a fragrance additive or masking agent, and can act as an intermediate in the preparation of specialty polymers or other chemical intermediates. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 690.8
    methanol 658.29
    isopropanol 864.34
    water 2.26
    ethyl acetate 801.9
    n-propanol 738.2
    acetone 777.35
    n-butanol 668.56
    acetonitrile 608.74
    DMF 783.6
    toluene 449.39
    isobutanol 599.46
    1,4-dioxane 1063.16
    methyl acetate 796.28
    THF 1295.93
    2-butanone 868.34
    n-pentanol 392.08
    sec-butanol 724.6
    n-hexane 157.26
    ethylene glycol 186.58
    NMP 526.91
    cyclohexane 173.93
    DMSO 441.34
    n-butyl acetate 676.31
    n-octanol 424.47
    chloroform 1721.36
    n-propyl acetate 359.29
    acetic acid 350.96
    dichloromethane 1082.7
    cyclohexanone 907.04
    propylene glycol 362.62
    isopropyl acetate 548.26
    DMAc 677.15
    2-ethoxyethanol 468.39
    isopentanol 592.24
    n-heptane 115.03
    ethyl formate 378.86
    1,2-dichloroethane 689.28
    n-hexanol 890.43
    2-methoxyethanol 737.04
    isobutyl acetate 325.28
    tetrachloromethane 330.46
    n-pentyl acetate 370.85
    transcutol 1423.63
    n-heptanol 395.79
    ethylbenzene 298.44
    MIBK 493.88
    2-propoxyethanol 1053.21
    tert-butanol 921.41
    MTBE 857.88
    2-butoxyethanol 551.66
    propionic acid 514.69
    o-xylene 331.93
    formic acid 113.29
    diethyl ether 670.77
    m-xylene 383.56
    p-xylene 379.9
    chlorobenzene 542.43
    dimethyl carbonate 222.68
    n-octane 60.16
    formamide 134.66
    cyclopentanone 985.12
    2-pentanone 657.24
    anisole 555.82
    cyclopentyl methyl ether 694.95
    gamma-butyrolactone 845.73
    1-methoxy-2-propanol 818.63
    pyridine 738.8
    3-pentanone 520.28
    furfural 747.72
    n-dodecane 50.86
    diethylene glycol 599.52
    diisopropyl ether 277.6
    tert-amyl alcohol 696.05
    acetylacetone 640.07
    n-hexadecane 57.69
    acetophenone 400.77
    methyl propionate 553.51
    isopentyl acetate 623.13
    trichloroethylene 1287.63
    n-nonanol 353.29
    cyclohexanol 580.81
    benzyl alcohol 371.91
    2-ethylhexanol 458.37
    isooctanol 322.92
    dipropyl ether 438.12
    1,2-dichlorobenzene 470.43
    ethyl lactate 244.49
    propylene carbonate 554.3
    n-methylformamide 398.25
    2-pentanol 545.53
    n-pentane 133.17
    1-propoxy-2-propanol 824.2
    1-methoxy-2-propyl acetate 682.78
    2-(2-methoxypropoxy) propanol 479.18
    mesitylene 259.38
    ε-caprolactone 774.83
    p-cymene 227.16
    epichlorohydrin 955.27
    1,1,1-trichloroethane 974.27
    2-aminoethanol 394.15
    morpholine-4-carbaldehyde 767.01
    sulfolane 717.91
    2,2,4-trimethylpentane 73.64
    2-methyltetrahydrofuran 1012.41
    n-hexyl acetate 635.04
    isooctane 78.74
    2-(2-butoxyethoxy)ethanol 637.35
    sec-butyl acetate 345.02
    tert-butyl acetate 598.38
    decalin 103.56
    glycerin 375.04
    diglyme 961.64
    acrylic acid 380.63
    isopropyl myristate 257.71
    n-butyric acid 675.44
    acetyl acetate 433.36
    di(2-ethylhexyl) phthalate 210.67
    ethyl propionate 374.94
    nitromethane 578.44
    1,2-diethoxyethane 571.22
    benzonitrile 517.97
    trioctyl phosphate 167.3
    1-bromopropane 648.48
    gamma-valerolactone 1135.15
    n-decanol 265.28
    triethyl phosphate 184.92
    4-methyl-2-pentanol 388.62
    propionitrile 705.26
    vinylene carbonate 506.38
    1,1,2-trichlorotrifluoroethane 655.51
    DMS 428.09
    cumene 231.25
    2-octanol 296.18
    2-hexanone 430.06
    octyl acetate 317.95
    limonene 299.36
    1,2-dimethoxyethane 741.51
    ethyl orthosilicate 186.18
    tributyl phosphate 195.8
    diacetone alcohol 614.31
    N,N-dimethylaniline 342.6
    acrylonitrile 690.67
    aniline 486.35
    1,3-propanediol 459.34
    bromobenzene 579.83
    dibromomethane 811.05
    1,1,2,2-tetrachloroethane 1177.78
    2-methyl-cyclohexyl acetate 338.61
    tetrabutyl urea 233.93
    diisobutyl methanol 271.02
    2-phenylethanol 517.87
    styrene 330.34
    dioctyl adipate 279.34
    dimethyl sulfate 300.24
    ethyl butyrate 405.12
    methyl lactate 329.43
    butyl lactate 324.08
    diethyl carbonate 263.9
    propanediol butyl ether 537.52
    triethyl orthoformate 290.43
    p-tert-butyltoluene 234.1
    methyl 4-tert-butylbenzoate 422.28
    morpholine 1086.14
    tert-butylamine 623.6
    n-dodecanol 202.32
    dimethoxymethane 529.33
    ethylene carbonate 428.87
    cyrene 324.19
    2-ethoxyethyl acetate 452.75
    2-ethylhexyl acetate 459.0
    1,2,4-trichlorobenzene 529.36
    4-methylpyridine 794.67
    dibutyl ether 404.34
    2,6-dimethyl-4-heptanol 271.02
    DEF 534.97
    dimethyl isosorbide 655.68
    tetrachloroethylene 681.79
    eugenol 407.26
    triacetin 494.62
    span 80 443.63
    1,4-butanediol 200.26
    1,1-dichloroethane 1024.64
    2-methyl-1-pentanol 358.3
    methyl formate 295.13
    2-methyl-1-butanol 522.1
    n-decane 85.85
    butyronitrile 696.66
    3,7-dimethyl-1-octanol 411.34
    1-chlorooctane 297.58
    1-chlorotetradecane 118.45
    n-nonane 89.13
    undecane 64.08
    tert-butylcyclohexane 117.15
    cyclooctane 76.55
    cyclopentanol 584.16
    tetrahydropyran 1042.21
    tert-amyl methyl ether 552.41
    2,5,8-trioxanonane 618.75
    1-hexene 409.05
    2-isopropoxyethanol 425.84
    2,2,2-trifluoroethanol 167.32
    methyl butyrate 436.41

    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