3,5-Dimethylcyclohexanone

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  • Identifiers

    CAS number
    2320-30-1

    Molecular formula
    C8H14O

    SMILES
    CC1CC(CC(=O)C1)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Mint 65.68%
    Herbal 60.36%
    Green 51.44%
    Fresh 50.32%
    Sweet 49.32%
    Camphoreous 47.94%
    Cooling 44.98%
    Musty 39.05%
    Ethereal 36.72%
    Woody 36.16%

     

    Flavor
    Minty 58.44%
    Sweet 45.43%
    Herbal 35.8%
    Camphor 34.02%
    Woody 31.94%
    Fruity 31.68%
    Camphoraceous 30.22%
    Green 30.19%
    Medicinal 29.64%
    Mint 29.39%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.83 (weak base)

    Molecular weight
    126.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    185°C

    Flash point

    • 52.51 ˚C est.

  • Synonyms

    • 3,5-Dimethylcyclohexanone
    • 3,5-Dimethyl cyclohexanone
    • NSC 21132
    • trans-3,5-Dimethylcyclohexanone
    • 3,5-Dimethylcyclohexanone, (E)-
    • RefChem:91601
    • 620-676-6
    • MSANHHHQJYQEOK-KNVOCYPGSA-N
    • MSANHHHQJYQEOK-UHFFFAOYSA-N
    • 2320-30-1
    • 3,5-dimethylcyclohexan-1-one
    • Cyclohexanone, 3,5-dimethyl-
    • 1219804-55-3
    • MFCD00019467
    • 3,5-DiMethyl-d6-cyclohexanone--d4
    • NSC21132
    • 7214-49-5
    • 3,5-dimethyl-cyclohexanone
    • 3,5-dimethylcyclo-hexanone
    • SCHEMBL339946
    • DTXSID30945879
    • CHEBI:195509
    • Cyclohexanone, 3,?5-?dimethyl-
    • NSC-21132
    • AKOS015917388
    • CS-W013493
    • DA-69882
    • LS-13471
    • DB-046102
    • D1282
    • NS00114004
    • EN300-72300
    • D89827
    • 320D301
    • F208730
    • 2320-30-1

  • Applications

    3,5-Dimethylcyclohexanone is commonly used as an intermediate in organic synthesis, notably in fragrance chemistry and as a building block for pharmaceutical intermediates; it can function as a solvent or processing aid in coatings, inks, and adhesives; it serves as a building block in certain specialty polymers; it may appear in cleaning formulations as a solvent component; and, where allowed by regulation, it may be considered as a fragrance intermediate or solvent in cosmetics/personal care.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 746.78
    methanol 1069.23
    isopropanol 544.31
    water 3.94
    ethyl acetate 514.76
    n-propanol 599.05
    acetone 754.65
    n-butanol 550.68
    acetonitrile 720.51
    DMF 397.71
    toluene 287.31
    isobutanol 412.09
    1,4-dioxane 1021.79
    methyl acetate 492.22
    THF 1616.92
    2-butanone 524.54
    n-pentanol 302.51
    sec-butanol 425.84
    n-hexane 232.32
    ethylene glycol 146.48
    NMP 688.01
    cyclohexane 338.37
    DMSO 419.58
    n-butyl acetate 568.34
    n-octanol 278.51
    chloroform 1983.9
    n-propyl acetate 269.57
    acetic acid 1095.83
    dichloromethane 1275.57
    cyclohexanone 950.62
    propylene glycol 189.82
    isopropyl acetate 309.55
    DMAc 281.4
    2-ethoxyethanol 260.2
    isopentanol 392.77
    n-heptane 163.76
    ethyl formate 339.29
    1,2-dichloroethane 675.11
    n-hexanol 665.01
    2-methoxyethanol 535.15
    isobutyl acetate 194.06
    tetrachloromethane 361.88
    n-pentyl acetate 300.7
    transcutol 1192.58
    n-heptanol 246.0
    ethylbenzene 142.5
    MIBK 276.1
    2-propoxyethanol 677.91
    tert-butanol 530.63
    MTBE 432.01
    2-butoxyethanol 325.36
    propionic acid 620.66
    o-xylene 180.64
    formic acid 298.33
    diethyl ether 632.46
    m-xylene 205.11
    p-xylene 186.76
    chlorobenzene 492.52
    dimethyl carbonate 115.24
    n-octane 51.15
    formamide 235.08
    cyclopentanone 988.92
    2-pentanone 459.15
    anisole 222.03
    cyclopentyl methyl ether 668.52
    gamma-butyrolactone 1155.08
    1-methoxy-2-propanol 388.43
    pyridine 665.73
    3-pentanone 341.21
    furfural 742.7
    n-dodecane 38.89
    diethylene glycol 403.3
    diisopropyl ether 189.56
    tert-amyl alcohol 382.71
    acetylacetone 399.63
    n-hexadecane 44.48
    acetophenone 204.26
    methyl propionate 332.04
    isopentyl acetate 473.78
    trichloroethylene 1247.82
    n-nonanol 229.86
    cyclohexanol 593.68
    benzyl alcohol 200.15
    2-ethylhexanol 338.76
    isooctanol 184.12
    dipropyl ether 392.98
    1,2-dichlorobenzene 395.04
    ethyl lactate 122.23
    propylene carbonate 584.4
    n-methylformamide 357.19
    2-pentanol 354.23
    n-pentane 194.39
    1-propoxy-2-propanol 493.42
    1-methoxy-2-propyl acetate 395.84
    2-(2-methoxypropoxy) propanol 269.68
    mesitylene 137.89
    ε-caprolactone 739.13
    p-cymene 133.76
    epichlorohydrin 928.79
    1,1,1-trichloroethane 815.73
    2-aminoethanol 274.82
    morpholine-4-carbaldehyde 571.17
    sulfolane 913.07
    2,2,4-trimethylpentane 65.78
    2-methyltetrahydrofuran 1073.98
    n-hexyl acetate 505.64
    isooctane 56.31
    2-(2-butoxyethoxy)ethanol 411.67
    sec-butyl acetate 192.07
    tert-butyl acetate 325.4
    decalin 97.16
    glycerin 232.65
    diglyme 608.57
    acrylic acid 522.39
    isopropyl myristate 173.64
    n-butyric acid 743.32
    acetyl acetate 362.59
    di(2-ethylhexyl) phthalate 146.83
    ethyl propionate 227.14
    nitromethane 871.74
    1,2-diethoxyethane 454.89
    benzonitrile 387.49
    trioctyl phosphate 118.09
    1-bromopropane 535.96
    gamma-valerolactone 992.71
    n-decanol 161.16
    triethyl phosphate 121.3
    4-methyl-2-pentanol 189.1
    propionitrile 524.31
    vinylene carbonate 495.74
    1,1,2-trichlorotrifluoroethane 575.02
    DMS 280.11
    cumene 107.9
    2-octanol 173.09
    2-hexanone 325.72
    octyl acetate 221.97
    limonene 237.97
    1,2-dimethoxyethane 453.85
    ethyl orthosilicate 129.89
    tributyl phosphate 151.68
    diacetone alcohol 332.14
    N,N-dimethylaniline 138.17
    acrylonitrile 542.91
    aniline 347.14
    1,3-propanediol 354.11
    bromobenzene 501.5
    dibromomethane 961.56
    1,1,2,2-tetrachloroethane 991.34
    2-methyl-cyclohexyl acetate 256.02
    tetrabutyl urea 170.46
    diisobutyl methanol 180.95
    2-phenylethanol 312.97
    styrene 164.41
    dioctyl adipate 213.04
    dimethyl sulfate 165.46
    ethyl butyrate 294.09
    methyl lactate 157.12
    butyl lactate 223.23
    diethyl carbonate 181.18
    propanediol butyl ether 302.78
    triethyl orthoformate 211.06
    p-tert-butyltoluene 132.44
    methyl 4-tert-butylbenzoate 238.87
    morpholine 995.81
    tert-butylamine 413.3
    n-dodecanol 120.61
    dimethoxymethane 304.49
    ethylene carbonate 440.73
    cyrene 200.31
    2-ethoxyethyl acetate 339.42
    2-ethylhexyl acetate 370.83
    1,2,4-trichlorobenzene 456.27
    4-methylpyridine 563.4
    dibutyl ether 325.01
    2,6-dimethyl-4-heptanol 180.95
    DEF 355.46
    dimethyl isosorbide 432.45
    tetrachloroethylene 730.26
    eugenol 217.42
    triacetin 315.85
    span 80 300.69
    1,4-butanediol 132.04
    1,1-dichloroethane 826.99
    2-methyl-1-pentanol 242.57
    methyl formate 300.02
    2-methyl-1-butanol 371.44
    n-decane 69.91
    butyronitrile 584.68
    3,7-dimethyl-1-octanol 257.07
    1-chlorooctane 230.89
    1-chlorotetradecane 83.85
    n-nonane 75.78
    undecane 49.71
    tert-butylcyclohexane 91.34
    cyclooctane 103.88
    cyclopentanol 627.05
    tetrahydropyran 1094.69
    tert-amyl methyl ether 300.79
    2,5,8-trioxanonane 377.43
    1-hexene 415.15
    2-isopropoxyethanol 203.99
    2,2,2-trifluoroethanol 303.44
    methyl butyrate 288.5

    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