Dimethylionone

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  • Identifiers

    CAS number
    72117-72-7

    Molecular formula
    C15H24O

    SMILES
    CCC(=O)/C(=C/C1C(=CCCC1(C)C)C)/C

  • Odor profile

    Fragrance
    Woody 87.04%
    Floral 75.09%
    Violet 69.22%
    Powdery 63.9%
    Sweet 63.01%
    Orris 59.49%
    Berry 49.41%
    Amber 46.17%
    Musk 45.03%
    Dry 44.75%

     

    Flavor
    Woody 62.49%
    Floral 44.25%
    Herbal 40.63%
    Sweet 33.9%
    Spicy 31.61%
    Wood 30.06%
    Orris 28.2%
    Violet 27.71%
    Minty 26.87%
    Tropical 26.19%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    9.33 (weak base)

    Molecular weight
    220.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    274°C

    Flash point

    • 118.23 ˚C est.

  • Synonyms

    • Dimethylionone
    • 7FHT56106E
    • 72117-72-7
    • 2-METHYL-1-(2,2,6-TRIMETHYLCYCLOHEXEN-1-YL)-1-PENTEN-3-ONE
    • 1,3-Dimethyl-alpha-ionone
    • BRN 2616019
    • alpha-Cyclocitrylidene-4-methylbutan-3-one
    • AI3-36128
    • 3-07-00-00686 (Beilstein Handbook Reference)
    • SCHEMBL2857543
    • 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl-
    • Q27268200
    • 271-463-6
    • Velvetone

  • Applications

    Dimethylionone (CAS 72117-72-7) is used primarily as a fragrance ingredient in perfumery with a characteristic violet note and can function as a fixative in fragrance formulations; it is also employed in cosmetics/personal care as a scent component in products such as lotions and shampoos; it may be used as an aroma ingredient in flavor formulations under limited, formulation-controlled contexts; in household products, it serves as an odorant in air fresheners and cleaning agents; in coatings, inks and plastics formulations, it can be added as a fragrance additive to impart violet-like notes; applicability is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1016.73
    methanol 603.27
    isopropanol 1152.57
    water 0.36
    ethyl acetate 2316.89
    n-propanol 1029.54
    acetone 1826.3
    n-butanol 1174.01
    acetonitrile 1310.45
    DMF 2186.87
    toluene 2133.92
    isobutanol 968.43
    1,4-dioxane 2595.75
    methyl acetate 1520.55
    THF 3533.63
    2-butanone 2013.99
    n-pentanol 629.26
    sec-butanol 1015.02
    n-hexane 351.25
    ethylene glycol 57.42
    NMP 1653.87
    cyclohexane 646.84
    DMSO 644.82
    n-butyl acetate 1762.61
    n-octanol 457.59
    chloroform 3960.21
    n-propyl acetate 1005.44
    acetic acid 527.32
    dichloromethane 3378.12
    cyclohexanone 2694.45
    propylene glycol 142.4
    isopropyl acetate 1716.63
    DMAc 1737.55
    2-ethoxyethanol 600.9
    isopentanol 1230.94
    n-heptane 152.04
    ethyl formate 772.13
    1,2-dichloroethane 2317.69
    n-hexanol 1216.48
    2-methoxyethanol 1002.39
    isobutyl acetate 768.18
    tetrachloromethane 782.27
    n-pentyl acetate 868.26
    transcutol 3387.67
    n-heptanol 490.44
    ethylbenzene 884.57
    MIBK 1284.31
    2-propoxyethanol 1335.4
    tert-butanol 1607.13
    MTBE 2717.6
    2-butoxyethanol 753.91
    propionic acid 551.56
    o-xylene 1042.97
    formic acid 102.46
    diethyl ether 2547.51
    m-xylene 1335.27
    p-xylene 1059.83
    chlorobenzene 1734.77
    dimethyl carbonate 550.55
    n-octane 65.51
    formamide 213.01
    cyclopentanone 2358.11
    2-pentanone 2032.8
    anisole 1270.28
    cyclopentyl methyl ether 2112.85
    gamma-butyrolactone 2006.86
    1-methoxy-2-propanol 1081.19
    pyridine 2212.18
    3-pentanone 1544.56
    furfural 1489.22
    n-dodecane 39.44
    diethylene glycol 513.68
    diisopropyl ether 883.88
    tert-amyl alcohol 1263.18
    acetylacetone 1686.14
    n-hexadecane 48.67
    acetophenone 978.5
    methyl propionate 1371.13
    isopentyl acetate 1662.5
    trichloroethylene 4104.77
    n-nonanol 415.96
    cyclohexanol 1317.03
    benzyl alcohol 716.79
    2-ethylhexanol 734.13
    isooctanol 438.11
    dipropyl ether 958.51
    1,2-dichlorobenzene 1420.58
    ethyl lactate 312.08
    propylene carbonate 1210.73
    n-methylformamide 641.14
    2-pentanol 1044.88
    n-pentane 326.68
    1-propoxy-2-propanol 1095.26
    1-methoxy-2-propyl acetate 1467.72
    2-(2-methoxypropoxy) propanol 697.28
    mesitylene 790.59
    ε-caprolactone 2054.13
    p-cymene 440.33
    epichlorohydrin 2778.77
    1,1,1-trichloroethane 2670.89
    2-aminoethanol 209.61
    morpholine-4-carbaldehyde 1918.53
    sulfolane 1521.03
    2,2,4-trimethylpentane 164.4
    2-methyltetrahydrofuran 3013.29
    n-hexyl acetate 1291.15
    isooctane 146.05
    2-(2-butoxyethoxy)ethanol 993.88
    sec-butyl acetate 934.28
    tert-butyl acetate 1650.03
    decalin 252.13
    glycerin 177.81
    diglyme 1824.38
    acrylic acid 381.59
    isopropyl myristate 431.42
    n-butyric acid 1191.83
    acetyl acetate 1072.0
    di(2-ethylhexyl) phthalate 351.44
    ethyl propionate 1001.94
    nitromethane 1072.54
    1,2-diethoxyethane 1579.76
    benzonitrile 1140.36
    trioctyl phosphate 249.06
    1-bromopropane 1842.23
    gamma-valerolactone 2616.85
    n-decanol 275.61
    triethyl phosphate 359.57
    4-methyl-2-pentanol 656.12
    propionitrile 1299.25
    vinylene carbonate 1112.66
    1,1,2-trichlorotrifluoroethane 1059.54
    DMS 899.11
    cumene 536.11
    2-octanol 374.01
    2-hexanone 1024.93
    octyl acetate 518.19
    limonene 656.5
    1,2-dimethoxyethane 1479.98
    ethyl orthosilicate 382.73
    tributyl phosphate 331.82
    diacetone alcohol 1116.27
    N,N-dimethylaniline 812.17
    acrylonitrile 1167.2
    aniline 1409.09
    1,3-propanediol 450.94
    bromobenzene 2024.04
    dibromomethane 2328.4
    1,1,2,2-tetrachloroethane 3117.04
    2-methyl-cyclohexyl acetate 755.33
    tetrabutyl urea 384.96
    diisobutyl methanol 406.1
    2-phenylethanol 913.17
    styrene 1024.66
    dioctyl adipate 516.31
    dimethyl sulfate 634.44
    ethyl butyrate 993.27
    methyl lactate 386.33
    butyl lactate 526.58
    diethyl carbonate 586.19
    propanediol butyl ether 557.92
    triethyl orthoformate 644.01
    p-tert-butyltoluene 457.63
    methyl 4-tert-butylbenzoate 786.08
    morpholine 2932.14
    tert-butylamine 1274.52
    n-dodecanol 191.21
    dimethoxymethane 1589.08
    ethylene carbonate 982.27
    cyrene 528.8
    2-ethoxyethyl acetate 1135.7
    2-ethylhexyl acetate 1299.37
    1,2,4-trichlorobenzene 1529.47
    4-methylpyridine 2954.1
    dibutyl ether 777.18
    2,6-dimethyl-4-heptanol 406.1
    DEF 2047.97
    dimethyl isosorbide 1232.86
    tetrachloroethylene 1921.02
    eugenol 649.77
    triacetin 835.1
    span 80 597.6
    1,4-butanediol 148.55
    1,1-dichloroethane 2771.64
    2-methyl-1-pentanol 714.74
    methyl formate 471.11
    2-methyl-1-butanol 1137.51
    n-decane 80.97
    butyronitrile 1612.4
    3,7-dimethyl-1-octanol 518.39
    1-chlorooctane 419.47
    1-chlorotetradecane 134.07
    n-nonane 81.38
    undecane 53.79
    tert-butylcyclohexane 224.27
    cyclooctane 212.3
    cyclopentanol 979.67
    tetrahydropyran 3394.34
    tert-amyl methyl ether 1579.36
    2,5,8-trioxanonane 1008.36
    1-hexene 987.85
    2-isopropoxyethanol 570.06
    2,2,2-trifluoroethanol 195.27
    methyl butyrate 1214.74

    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