1,4-Dimethyl-3-cyclohexenyl methyl ketone

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  • Identifiers

    CAS number
    43219-68-7

    Molecular formula
    C10H16O

    SMILES
    CC1=CCC(CC1)(C)C(=O)C

  • Odor profile

    Herbal 76.67%
    Fruity 64.74%
    Mint 58.61%
    Fresh 44.85%
    Camphoreous 41.41%
    Woody 41.12%
    Citrus 38.86%
    Ketonic 38.0%
    Spicy 36.33%
    Floral 31.4%

    Scent© AI

  • Properties

    XLogP3-AA
    1.7

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 208.00 to 211.00 °C. @ 760.00 mm Hg

    Flash point est.
    82.46 ˚C

  • Synonyms

    • 4-Acetyl-1,4-dimethyl-1-cyclohexene
    • 43219-68-7
    • 1-(1,4-Dimethylcyclohex-3-en-1-yl)ethan-1-one
    • 1,4-Dimethyl-4-acetylcyclohexene
    • 1-(1,4-Dimethyl-3-cyclohexen-1-yl)ethanone
    • FEMA No. 3449
    • 1,4-Dimethyl-3-cyclohexenyl methyl ketone
    • 1-(1,4-dimethylcyclohex-3-en-1-yl)ethanone
    • Ethanone, 1-(1,4-dimethyl-3-cyclohexen-1-yl)-
    • 1,4-Dimethyl-4-acetyl-1-cyclohexene
    • 1,4-Dimethylcyclohex-3-enyl methyl ketone
    • US73ACJ84D
    • 1,4-Dimethyl-.delta.-3-tetrahydroacetophenone
    • EINECS 256-150-4
    • 1-(1,4-dimethylcyclohex-3-enyl)ethanone
    • DTXSID50866118
    • 1,4-Dimethyl-4-acetyl-1-cyclohexene (natural)
    • 4-acetyl-1 ,4-dimethyl-1-cyclohexene
    • 1,4-Dimethyl-cyclohex-3-enyl methyl ketone
    • 1,4-DIMETHYL-4-ACETYL-1-CYCLOHEXENE [FHFI]
    • 1,4-DIMETHYL-3-CYCLOHEXEN-1-YL METHYL KETONE
    • UNII-US73ACJ84D
    • 1-(1,4-Dimethylcyclohex-3-en-1-. yl)ethan-1-one
    • SCHEMBL3505753
    • FEMA 3449
    • DTXCID60814443
    • CHEBI:171953
    • LMPR0102100001
    • 1-(1,4-Dimethyl-3-cyclohexenyl)ethanone
    • 1,4-Dimethyl-delta-3-tetrahydroacetophenone
    • NS00057458
    • 1-(1,4-Dimethyl-3-cyclohexen-1-yl)-Ethanone
    • Q27291241
    • 1,4-Dimethyl-laquo deltaRaquo -3-tetrahydroacetophenone

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 699.28
    methanol 453.99
    isopropanol 806.03
    water 4.26
    ethyl acetate 872.65
    n-propanol 626.0
    acetone 798.06
    n-butanol 582.49
    acetonitrile 1057.46
    DMF 779.11
    toluene 558.6
    isobutanol 505.39
    1,4-dioxane 1541.35
    methyl acetate 944.73
    THF 1250.45
    2-butanone 860.4
    n-pentanol 338.52
    sec-butanol 649.76
    n-hexane 85.61
    ethylene glycol 111.85
    NMP 515.13
    cyclohexane 168.4
    DMSO 424.14
    n-butyl acetate 538.42
    n-octanol 342.25
    chloroform 2252.75
    n-propyl acetate 399.44
    acetic acid 406.83
    dichloromethane 1710.29
    cyclohexanone 871.36
    propylene glycol 222.12
    isopropyl acetate 488.86
    DMAc 728.42
    2-ethoxyethanol 407.03
    isopentanol 513.35
    n-heptane 89.6
    ethyl formate 468.84
    1,2-dichloroethane 784.46
    n-hexanol 540.65
    2-methoxyethanol 662.77
    isobutyl acetate 262.38
    tetrachloromethane 423.04
    n-pentyl acetate 329.79
    transcutol 1494.22
    n-heptanol 305.42
    ethylbenzene 317.63
    MIBK 391.28
    2-propoxyethanol 635.98
    tert-butanol 914.04
    MTBE 730.89
    2-butoxyethanol 426.65
    propionic acid 467.27
    o-xylene 379.61
    formic acid 134.55
    diethyl ether 637.79
    m-xylene 378.98
    p-xylene 474.08
    chlorobenzene 582.78
    dimethyl carbonate 227.61
    n-octane 45.93
    formamide 294.32
    cyclopentanone 867.34
    2-pentanone 592.03
    anisole 591.41
    cyclopentyl methyl ether 511.66
    gamma-butyrolactone 853.48
    1-methoxy-2-propanol 603.62
    pyridine 1009.4
    3-pentanone 463.53
    furfural 834.17
    n-dodecane 41.7
    diethylene glycol 372.01
    diisopropyl ether 230.84
    tert-amyl alcohol 671.79
    acetylacetone 614.44
    n-hexadecane 47.89
    acetophenone 438.35
    methyl propionate 537.04
    isopentyl acetate 456.96
    trichloroethylene 1506.14
    n-nonanol 293.94
    cyclohexanol 493.28
    benzyl alcohol 374.75
    2-ethylhexanol 328.6
    isooctanol 249.65
    dipropyl ether 357.84
    1,2-dichlorobenzene 501.24
    ethyl lactate 177.45
    propylene carbonate 546.43
    n-methylformamide 415.89
    2-pentanol 441.92
    n-pentane 99.16
    1-propoxy-2-propanol 509.47
    1-methoxy-2-propyl acetate 491.0
    2-(2-methoxypropoxy) propanol 458.85
    mesitylene 252.13
    ε-caprolactone 754.5
    p-cymene 220.5
    epichlorohydrin 968.86
    1,1,1-trichloroethane 1150.1
    2-aminoethanol 299.93
    morpholine-4-carbaldehyde 845.39
    sulfolane 621.65
    2,2,4-trimethylpentane 66.48
    2-methyltetrahydrofuran 951.81
    n-hexyl acetate 527.64
    isooctane 56.46
    2-(2-butoxyethoxy)ethanol 591.36
    sec-butyl acetate 314.32
    tert-butyl acetate 497.46
    decalin 95.78
    glycerin 228.5
    diglyme 988.62
    acrylic acid 344.7
    isopropyl myristate 237.68
    n-butyric acid 627.61
    acetyl acetate 489.97
    di(2-ethylhexyl) phthalate 200.85
    ethyl propionate 388.14
    nitromethane 837.38
    1,2-diethoxyethane 627.97
    benzonitrile 580.94
    trioctyl phosphate 145.13
    1-bromopropane 585.16
    gamma-valerolactone 1097.68
    n-decanol 219.69
    triethyl phosphate 191.26
    4-methyl-2-pentanol 266.89
    propionitrile 797.88
    vinylene carbonate 577.39
    1,1,2-trichlorotrifluoroethane 551.7
    DMS 365.94
    cumene 235.84
    2-octanol 231.09
    2-hexanone 418.39
    octyl acetate 290.26
    limonene 302.38
    1,2-dimethoxyethane 752.87
    ethyl orthosilicate 183.6
    tributyl phosphate 173.11
    diacetone alcohol 474.94
    N,N-dimethylaniline 364.72
    acrylonitrile 747.79
    aniline 559.47
    1,3-propanediol 417.27
    bromobenzene 618.29
    dibromomethane 1085.26
    1,1,2,2-tetrachloroethane 1172.35
    2-methyl-cyclohexyl acetate 334.51
    tetrabutyl urea 205.28
    diisobutyl methanol 210.08
    2-phenylethanol 413.56
    styrene 374.15
    dioctyl adipate 288.83
    dimethyl sulfate 276.66
    ethyl butyrate 417.57
    methyl lactate 247.48
    butyl lactate 244.17
    diethyl carbonate 294.39
    propanediol butyl ether 379.72
    triethyl orthoformate 267.73
    p-tert-butyltoluene 229.98
    methyl 4-tert-butylbenzoate 410.31
    morpholine 1355.69
    tert-butylamine 631.58
    n-dodecanol 171.44
    dimethoxymethane 495.07
    ethylene carbonate 462.95
    cyrene 316.39
    2-ethoxyethyl acetate 461.9
    2-ethylhexyl acetate 359.31
    1,2,4-trichlorobenzene 578.16
    4-methylpyridine 1005.44
    dibutyl ether 350.78
    2,6-dimethyl-4-heptanol 210.08
    DEF 526.39
    dimethyl isosorbide 679.07
    tetrachloroethylene 722.41
    eugenol 377.25
    triacetin 473.21
    span 80 407.9
    1,4-butanediol 149.96
    1,1-dichloroethane 1167.95
    2-methyl-1-pentanol 325.45
    methyl formate 301.55
    2-methyl-1-butanol 467.44
    n-decane 67.65
    butyronitrile 763.62
    3,7-dimethyl-1-octanol 316.32
    1-chlorooctane 224.01
    1-chlorotetradecane 100.95
    n-nonane 64.84
    undecane 51.66
    tert-butylcyclohexane 94.88
    cyclooctane 59.64
    cyclopentanol 492.83
    tetrahydropyran 1164.2
    tert-amyl methyl ether 463.0
    2,5,8-trioxanonane 691.03
    1-hexene 272.52
    2-isopropoxyethanol 323.95
    2,2,2-trifluoroethanol 197.62
    methyl butyrate 469.21

    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

Botanical

Name CAS Botanical Proportion
Hyssop (Finland) 1 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.15%
Hyssop (Finland) 2 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.6%
Hyssop (Finland) 3 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 1.0%
Hyssop (Finland) 4 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.6%
Cachrys sicula (Spain) Cachrys sicula L., fam. Apiaceae (Umbelliferae) 0.1%