1-(3,5,6-Trimethyl-3-cyclohexen-1-yl)ethan-1-one

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  • Identifiers

    CAS number
    68480-14-8

    Molecular formula
    C11H18O

    SMILES
    CC1C=C(CC(C1C)C(=O)C)C

  • Odor profile

    Fragrance
    Green 75.26%
    Woody 73.71%
    Herbal 70.21%
    Floral 68.88%
    Earthy 46.37%
    Fresh 46.22%
    Leafy 42.37%
    Mint 41.88%
    Spicy 39.22%
    Camphoreous 33.07%

     

    Flavor
    Sweet 53.94%
    Minty 49.81%
    Fruity 43.44%
    Woody 43.38%
    Herbal 38.98%
    Mint 38.72%
    Floral 33.94%
    Tropical 31.77%
    Herb 29.21%
    Berry 29.18%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    9.26 (weak base)

    Molecular weight
    166.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    222°C

    Flash point

    • 86.98 ˚C est.

  • Synonyms

    • 1-(3,5,6-Trimethyl-3-cyclohexen-1-yl)ethanone
    • 68480-14-8
    • EINECS 270-891-0
    • 1-(3,5,6-Trimethyl-3-cyclohexen-1-yl)ethan-1-one
    • Ethanone, 1-(3,5,6-trimethyl-3-cyclohexen-1-yl)-
    • DTXSID0052413
    • 2,3,5-Trimethylcyclohexen-4-yl methyl ketone
    • DTXSID70276073
    • Methylcyclocitrone
    • SCHEMBL713031
    • DTXCID2030986
    • DTXCID30227425
    • KJJMTKOKFXURKM-UHFFFAOYSA-N
    • DB-237620
    • NS00013273
    • 270-891-0

  • Applications

    1-(3,5,6-Trimethyl-3-cyclohexen-1-yl)ethan-1-one (CAS 68480-14-8) is primarily used as an odorant in perfumery, providing green and light floral notes; it is commonly used in cosmetics and personal care products such as perfumes, lotions, shampoos, and creams to impart fragrance. It is also employed in household products such as air fresheners and cleaners to deliver scent. In coatings, varnishes, and inks, it can serve as a fragrance additive for finishes and printed materials to enhance aroma. In fragrance synthesis, it may act as an intermediate or building block for related ionone/ketone compounds, depending on formulation and regional regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 929.59
    methanol 942.58
    isopropanol 1019.01
    water 2.74
    ethyl acetate 752.81
    n-propanol 937.28
    acetone 860.38
    n-butanol 825.5
    acetonitrile 901.11
    DMF 953.83
    toluene 637.06
    isobutanol 725.16
    1,4-dioxane 1619.36
    methyl acetate 765.64
    THF 1876.93
    2-butanone 873.92
    n-pentanol 468.63
    sec-butanol 792.98
    n-hexane 184.44
    ethylene glycol 179.59
    NMP 612.5
    cyclohexane 209.88
    DMSO 608.19
    n-butyl acetate 476.1
    n-octanol 376.41
    chloroform 2031.24
    n-propyl acetate 322.25
    acetic acid 343.01
    dichloromethane 1470.14
    cyclohexanone 974.26
    propylene glycol 281.31
    isopropyl acetate 450.52
    DMAc 600.53
    2-ethoxyethanol 520.58
    isopentanol 636.71
    n-heptane 95.89
    ethyl formate 389.34
    1,2-dichloroethane 900.7
    n-hexanol 803.51
    2-methoxyethanol 903.47
    isobutyl acetate 243.58
    tetrachloromethane 392.46
    n-pentyl acetate 335.95
    transcutol 1275.15
    n-heptanol 350.8
    ethylbenzene 304.02
    MIBK 433.58
    2-propoxyethanol 937.19
    tert-butanol 932.69
    MTBE 886.71
    2-butoxyethanol 476.54
    propionic acid 445.86
    o-xylene 361.78
    formic acid 115.67
    diethyl ether 937.98
    m-xylene 430.49
    p-xylene 356.19
    chlorobenzene 568.54
    dimethyl carbonate 189.97
    n-octane 54.92
    formamide 153.84
    cyclopentanone 1030.34
    2-pentanone 680.59
    anisole 494.1
    cyclopentyl methyl ether 854.84
    gamma-butyrolactone 893.67
    1-methoxy-2-propanol 822.38
    pyridine 899.84
    3-pentanone 538.08
    furfural 679.55
    n-dodecane 41.22
    diethylene glycol 543.9
    diisopropyl ether 280.62
    tert-amyl alcohol 678.83
    acetylacetone 589.27
    n-hexadecane 48.05
    acetophenone 347.56
    methyl propionate 522.19
    isopentyl acetate 432.7
    trichloroethylene 1416.12
    n-nonanol 294.78
    cyclohexanol 708.85
    benzyl alcohol 365.93
    2-ethylhexanol 379.91
    isooctanol 272.13
    dipropyl ether 371.71
    1,2-dichlorobenzene 431.51
    ethyl lactate 181.02
    propylene carbonate 449.56
    n-methylformamide 463.65
    2-pentanol 610.13
    n-pentane 173.62
    1-propoxy-2-propanol 618.59
    1-methoxy-2-propyl acetate 468.22
    2-(2-methoxypropoxy) propanol 331.15
    mesitylene 265.37
    ε-caprolactone 751.17
    p-cymene 174.92
    epichlorohydrin 1167.87
    1,1,1-trichloroethane 1023.64
    2-aminoethanol 391.74
    morpholine-4-carbaldehyde 829.36
    sulfolane 749.75
    2,2,4-trimethylpentane 76.3
    2-methyltetrahydrofuran 1294.74
    n-hexyl acetate 534.88
    isooctane 69.45
    2-(2-butoxyethoxy)ethanol 499.98
    sec-butyl acetate 271.08
    tert-butyl acetate 443.38
    decalin 108.62
    glycerin 296.53
    diglyme 819.25
    acrylic acid 320.35
    isopropyl myristate 184.53
    n-butyric acid 580.71
    acetyl acetate 356.75
    di(2-ethylhexyl) phthalate 154.39
    ethyl propionate 318.62
    nitromethane 592.53
    1,2-diethoxyethane 538.63
    benzonitrile 481.21
    trioctyl phosphate 124.65
    1-bromopropane 837.78
    gamma-valerolactone 1161.9
    n-decanol 214.09
    triethyl phosphate 134.46
    4-methyl-2-pentanol 340.88
    propionitrile 840.85
    vinylene carbonate 421.58
    1,1,2-trichlorotrifluoroethane 572.25
    DMS 332.45
    cumene 212.32
    2-octanol 279.07
    2-hexanone 417.92
    octyl acetate 239.32
    limonene 254.15
    1,2-dimethoxyethane 798.88
    ethyl orthosilicate 142.41
    tributyl phosphate 137.9
    diacetone alcohol 500.08
    N,N-dimethylaniline 304.17
    acrylonitrile 767.67
    aniline 573.15
    1,3-propanediol 522.53
    bromobenzene 619.1
    dibromomethane 1105.19
    1,1,2,2-tetrachloroethane 1147.48
    2-methyl-cyclohexyl acetate 234.15
    tetrabutyl urea 168.58
    diisobutyl methanol 211.4
    2-phenylethanol 437.19
    styrene 340.61
    dioctyl adipate 195.51
    dimethyl sulfate 275.34
    ethyl butyrate 294.93
    methyl lactate 244.18
    butyl lactate 233.25
    diethyl carbonate 184.25
    propanediol butyl ether 413.72
    triethyl orthoformate 200.84
    p-tert-butyltoluene 181.72
    methyl 4-tert-butylbenzoate 302.82
    morpholine 1621.87
    tert-butylamine 637.45
    n-dodecanol 158.2
    dimethoxymethane 650.83
    ethylene carbonate 374.58
    cyrene 259.73
    2-ethoxyethyl acetate 405.6
    2-ethylhexyl acetate 320.45
    1,2,4-trichlorobenzene 492.1
    4-methylpyridine 925.63
    dibutyl ether 353.43
    2,6-dimethyl-4-heptanol 211.4
    DEF 560.57
    dimethyl isosorbide 464.4
    tetrachloroethylene 725.47
    eugenol 309.21
    triacetin 316.48
    span 80 309.53
    1,4-butanediol 210.93
    1,1-dichloroethane 1237.8
    2-methyl-1-pentanol 387.34
    methyl formate 335.26
    2-methyl-1-butanol 593.51
    n-decane 77.02
    butyronitrile 773.84
    3,7-dimethyl-1-octanol 302.65
    1-chlorooctane 276.04
    1-chlorotetradecane 98.36
    n-nonane 80.67
    undecane 54.44
    tert-butylcyclohexane 110.59
    cyclooctane 84.09
    cyclopentanol 717.49
    tetrahydropyran 1528.99
    tert-amyl methyl ether 564.24
    2,5,8-trioxanonane 471.03
    1-hexene 454.86
    2-isopropoxyethanol 413.86
    2,2,2-trifluoroethanol 157.01
    methyl butyrate 372.2

    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