3,4-Dimethylcyclohexan-1-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    5465-09-8

    Molecular formula
    C8H14O

    SMILES
    CC1CCC(=O)CC1C

    Safety labels

  • Odor profile

    Fragrance
    Mint 77.88%
    Herbal 70.84%
    Camphoreous 65.1%
    Woody 58.26%
    Fresh 56.64%
    Cooling 53.63%
    Green 41.41%
    Ketonic 39.72%
    Earthy 37.15%
    Musty 35.93%

     

    Flavor
    Minty 66.39%
    Herbal 36.75%
    Camphor 35.28%
    Medicinal 31.48%
    Mint 31.25%
    Camphoraceous 29.44%
    Fruity 28.28%
    Sweet 25.27%
    Spice 24.59%
    Fresh 24.27%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    8.73 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    191°C

    Flash point

    • 56.09 ˚C est.

  • Synonyms

    • 3,4-dimethylcyclohexan-1-one
    • DTXSID20969928
    • RefChem:1065808
    • DTXCID101010118
    • 3,4-Dimethylcyclohexanone
    • 5465-09-8
    • MFCD00045552
    • 3,4-Dimethylcyclohexanone,c&t
    • 3,4-Dimethyl cyclohexanone
    • NSC28978
    • SCHEMBL856067
    • Cyclohexanone, 3,4-dimethyl-
    • SCHEMBL20557659
    • NSC 28978
    • NSC-28978
    • AKOS026729826
    • AS-43460
    • DA-04989
    • SY053614
    • DB-052623
    • CS-0217764
    • D1281
    • EN300-83957
    • 5465-09-8

  • Applications

    3,4-Dimethylcyclohexan-1-one (CAS 5465-09-8) is used as an intermediate in organic synthesis across multiple industries. It may serve as a fragrance precursor or odorant in perfumery and flavors, and can function as a solvent or processing aid in coatings and inks. It provides a building block for polymer and plastic synthesis and can be a precursor in pharmaceutical and agrochemical manufacturing. Depending on formulation needs, it may be evaluated for other specialty applications in coatings and related sectors, subject to local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 866.24
    methanol 761.39
    isopropanol 752.87
    water 3.32
    ethyl acetate 821.43
    n-propanol 695.17
    acetone 777.39
    n-butanol 567.56
    acetonitrile 875.38
    DMF 627.9
    toluene 338.74
    isobutanol 422.2
    1,4-dioxane 1467.57
    methyl acetate 763.22
    THF 1021.11
    2-butanone 670.54
    n-pentanol 305.7
    sec-butanol 474.66
    n-hexane 53.71
    ethylene glycol 164.4
    NMP 388.52
    cyclohexane 90.56
    DMSO 535.15
    n-butyl acetate 518.65
    n-octanol 206.7
    chloroform 2154.9
    n-propyl acetate 290.77
    acetic acid 583.59
    dichloromethane 1312.61
    cyclohexanone 695.93
    propylene glycol 238.6
    isopropyl acetate 366.25
    DMAc 404.87
    2-ethoxyethanol 408.29
    isopentanol 416.83
    n-heptane 45.35
    ethyl formate 389.33
    1,2-dichloroethane 742.77
    n-hexanol 570.39
    2-methoxyethanol 772.98
    isobutyl acetate 174.73
    tetrachloromethane 284.11
    n-pentyl acetate 252.93
    transcutol 2024.18
    n-heptanol 211.71
    ethylbenzene 156.43
    MIBK 240.51
    2-propoxyethanol 799.72
    tert-butanol 664.14
    MTBE 440.26
    2-butoxyethanol 402.16
    propionic acid 571.49
    o-xylene 182.39
    formic acid 204.53
    diethyl ether 595.26
    m-xylene 216.45
    p-xylene 210.32
    chlorobenzene 489.2
    dimethyl carbonate 148.13
    n-octane 19.51
    formamide 281.69
    cyclopentanone 712.88
    2-pentanone 446.15
    anisole 334.79
    cyclopentyl methyl ether 390.2
    gamma-butyrolactone 829.5
    1-methoxy-2-propanol 632.49
    pyridine 1010.42
    3-pentanone 330.72
    furfural 762.32
    n-dodecane 15.4
    diethylene glycol 513.88
    diisopropyl ether 142.23
    tert-amyl alcohol 373.74
    acetylacetone 500.59
    n-hexadecane 17.94
    acetophenone 241.9
    methyl propionate 474.74
    isopentyl acetate 384.47
    trichloroethylene 1442.34
    n-nonanol 170.76
    cyclohexanol 393.38
    benzyl alcohol 274.22
    2-ethylhexanol 236.75
    isooctanol 155.54
    dipropyl ether 273.31
    1,2-dichlorobenzene 362.62
    ethyl lactate 132.67
    propylene carbonate 405.45
    n-methylformamide 476.4
    2-pentanol 354.64
    n-pentane 55.29
    1-propoxy-2-propanol 523.31
    1-methoxy-2-propyl acetate 442.65
    2-(2-methoxypropoxy) propanol 330.95
    mesitylene 123.33
    ε-caprolactone 627.9
    p-cymene 107.34
    epichlorohydrin 960.56
    1,1,1-trichloroethane 863.87
    2-aminoethanol 387.62
    morpholine-4-carbaldehyde 710.04
    sulfolane 519.28
    2,2,4-trimethylpentane 25.01
    2-methyltetrahydrofuran 709.93
    n-hexyl acetate 362.71
    isooctane 25.76
    2-(2-butoxyethoxy)ethanol 526.56
    sec-butyl acetate 202.67
    tert-butyl acetate 302.96
    decalin 37.99
    glycerin 276.8
    diglyme 875.06
    acrylic acid 415.4
    isopropyl myristate 123.76
    n-butyric acid 703.45
    acetyl acetate 404.56
    di(2-ethylhexyl) phthalate 116.08
    ethyl propionate 268.34
    nitromethane 957.15
    1,2-diethoxyethane 628.92
    benzonitrile 475.87
    trioctyl phosphate 82.16
    1-bromopropane 468.92
    gamma-valerolactone 1030.98
    n-decanol 120.75
    triethyl phosphate 102.37
    4-methyl-2-pentanol 187.46
    propionitrile 655.33
    vinylene carbonate 450.07
    1,1,2-trichlorotrifluoroethane 534.76
    DMS 287.39
    cumene 104.69
    2-octanol 136.09
    2-hexanone 278.69
    octyl acetate 156.73
    limonene 143.86
    1,2-dimethoxyethane 608.4
    ethyl orthosilicate 107.6
    tributyl phosphate 108.48
    diacetone alcohol 347.2
    N,N-dimethylaniline 172.63
    acrylonitrile 755.57
    aniline 458.78
    1,3-propanediol 506.83
    bromobenzene 486.0
    dibromomethane 899.72
    1,1,2,2-tetrachloroethane 1090.99
    2-methyl-cyclohexyl acetate 187.94
    tetrabutyl urea 118.07
    diisobutyl methanol 136.74
    2-phenylethanol 363.87
    styrene 207.01
    dioctyl adipate 158.98
    dimethyl sulfate 177.03
    ethyl butyrate 282.29
    methyl lactate 202.17
    butyl lactate 202.63
    diethyl carbonate 183.47
    propanediol butyl ether 331.55
    triethyl orthoformate 185.68
    p-tert-butyltoluene 104.52
    methyl 4-tert-butylbenzoate 221.59
    morpholine 1419.79
    tert-butylamine 388.8
    n-dodecanol 88.95
    dimethoxymethane 399.81
    ethylene carbonate 380.78
    cyrene 182.28
    2-ethoxyethyl acetate 415.74
    2-ethylhexyl acetate 274.6
    1,2,4-trichlorobenzene 411.65
    4-methylpyridine 778.94
    dibutyl ether 228.72
    2,6-dimethyl-4-heptanol 136.74
    DEF 389.18
    dimethyl isosorbide 436.2
    tetrachloroethylene 706.31
    eugenol 237.67
    triacetin 302.17
    span 80 291.71
    1,4-butanediol 165.87
    1,1-dichloroethane 1031.31
    2-methyl-1-pentanol 225.16
    methyl formate 315.5
    2-methyl-1-butanol 333.92
    n-decane 28.05
    butyronitrile 596.57
    3,7-dimethyl-1-octanol 200.78
    1-chlorooctane 125.97
    1-chlorotetradecane 46.37
    n-nonane 26.77
    undecane 20.05
    tert-butylcyclohexane 38.91
    cyclooctane 30.55
    cyclopentanol 417.09
    tetrahydropyran 1035.22
    tert-amyl methyl ether 242.61
    2,5,8-trioxanonane 519.28
    1-hexene 193.24
    2-isopropoxyethanol 299.59
    2,2,2-trifluoroethanol 219.74
    methyl butyrate 312.31

    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