1-(2,4-Dimethyl-3-cyclohexen-1-yl)-2,2-dimethyl-1-propanone

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  • Identifiers

    CAS number
    69929-17-5

    Molecular formula
    C13H22O

    SMILES
    CC1C=C(CCC1C(=O)C(C)(C)C)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Herbal 74.34%
    Floral 70.99%
    Woody 53.08%
    Citrus 51.08%
    Fresh 44.5%
    Grapefruit 41.46%
    Green 40.24%
    Mint 37.97%
    Spicy 37.38%
    Rose 35.46%

     

    Flavor
    Herbal 55.21%
    Woody 45.56%
    Green 40.6%
    Minty 38.11%
    Floral 37.92%
    Sweet 34.58%
    Fruity 33.83%
    Herb 32.74%
    Mint 32.09%
    Tropical 31.61%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.1

    pKa est.
    9.25 (weak base)

    Molecular weight
    194.31 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    245°C

    Flash point

    • 97.63 ˚C est.

  • Synonyms

    • 69929-17-5
    • 1-(2,4-Dimethyl-3-cyclohexen-1-yl)-2,2-dimethyl-1-propanone
    • EINECS 274-223-9
    • 1-Propanone, 1-(2,4-dimethyl-3-cyclohexen-1-yl)-2,2-dimethyl-
    • UNII-15047ZP82F
    • 1-(2,4-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-one
    • 15047ZP82F
    • DTXSID30867860
    • chrysantheme
    • 1-(2,4-Dimethyl-3-cyclohexenyl)-2,2-dimethylpropan-1-one
    • chrysanthemum ketone
    • SCHEMBL272826
    • DTXCID30816010
    • ALXMEIMLYKTBHU-UHFFFAOYSA-N
    • NS00012288
    • Q27251663
    • 274-223-9

  • Applications

    1-(2,4-Dimethyl-3-cyclohexen-1-yl)-2,2-dimethyl-1-propanone (CAS 69929-17-5) is principally used as an aroma-related intermediate in fragrance chemistry and as a specialty building block in organic synthesis; in perfumery and cosmetics it may serve as a distinctive scent component or note, while in industrial manufacturing it is commonly evaluated as an intermediate for the synthesis of terpenoid-like compounds and related materials; in coatings/inks and household cleaning products it can be employed as a fragrance additive to impart odor, subject to regulatory and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2341.88
    methanol 2085.27
    isopropanol 2916.01
    water 8.39
    ethyl acetate 3117.41
    n-propanol 2722.61
    acetone 3707.94
    n-butanol 2913.38
    acetonitrile 3069.46
    DMF 3930.72
    toluene 3108.54
    isobutanol 2974.34
    1,4-dioxane 4329.46
    methyl acetate 2928.11
    THF 4934.49
    2-butanone 3512.71
    n-pentanol 1716.38
    sec-butanol 2957.5
    n-hexane 1375.27
    ethylene glycol 313.79
    NMP 2461.3
    cyclohexane 1859.51
    DMSO 1242.56
    n-butyl acetate 2322.16
    n-octanol 1296.75
    chloroform 7794.05
    n-propyl acetate 1660.09
    acetic acid 2067.59
    dichloromethane 4725.48
    cyclohexanone 4882.56
    propylene glycol 539.18
    isopropyl acetate 2701.41
    DMAc 3001.87
    2-ethoxyethanol 1612.68
    isopentanol 3150.17
    n-heptane 511.67
    ethyl formate 1783.23
    1,2-dichloroethane 3536.86
    n-hexanol 2558.65
    2-methoxyethanol 2548.97
    isobutyl acetate 1345.02
    tetrachloromethane 2176.61
    n-pentyl acetate 1643.97
    transcutol 3508.9
    n-heptanol 1323.16
    ethylbenzene 1667.77
    MIBK 2454.33
    2-propoxyethanol 2584.02
    tert-butanol 3470.73
    MTBE 4703.86
    2-butoxyethanol 1722.01
    propionic acid 1764.18
    o-xylene 1910.73
    formic acid 588.67
    diethyl ether 4140.88
    m-xylene 2224.07
    p-xylene 2110.81
    chlorobenzene 2595.65
    dimethyl carbonate 1050.55
    n-octane 269.03
    formamide 808.21
    cyclopentanone 3840.03
    2-pentanone 3377.21
    anisole 1945.64
    cyclopentyl methyl ether 3560.16
    gamma-butyrolactone 3290.47
    1-methoxy-2-propanol 2264.35
    pyridine 3526.63
    3-pentanone 2646.33
    furfural 2818.76
    n-dodecane 141.61
    diethylene glycol 1240.35
    diisopropyl ether 1879.32
    tert-amyl alcohol 3255.65
    acetylacetone 2663.11
    n-hexadecane 167.47
    acetophenone 1541.26
    methyl propionate 2142.13
    isopentyl acetate 2499.21
    trichloroethylene 6531.34
    n-nonanol 1053.92
    cyclohexanol 3366.54
    benzyl alcohol 1316.75
    2-ethylhexanol 1539.44
    isooctanol 1106.14
    dipropyl ether 1528.87
    1,2-dichlorobenzene 2088.05
    ethyl lactate 658.01
    propylene carbonate 2146.84
    n-methylformamide 1799.43
    2-pentanol 2658.37
    n-pentane 1173.45
    1-propoxy-2-propanol 1950.47
    1-methoxy-2-propyl acetate 1972.4
    2-(2-methoxypropoxy) propanol 974.26
    mesitylene 1463.48
    ε-caprolactone 3483.85
    p-cymene 793.03
    epichlorohydrin 4135.66
    1,1,1-trichloroethane 5567.43
    2-aminoethanol 805.02
    morpholine-4-carbaldehyde 2879.58
    sulfolane 2460.59
    2,2,4-trimethylpentane 547.08
    2-methyltetrahydrofuran 4656.96
    n-hexyl acetate 2595.72
    isooctane 462.57
    2-(2-butoxyethoxy)ethanol 1497.4
    sec-butyl acetate 1564.6
    tert-butyl acetate 2701.32
    decalin 723.24
    glycerin 684.46
    diglyme 2739.73
    acrylic acid 1306.66
    isopropyl myristate 745.32
    n-butyric acid 3160.48
    acetyl acetate 1995.41
    di(2-ethylhexyl) phthalate 567.61
    ethyl propionate 1583.64
    nitromethane 3082.77
    1,2-diethoxyethane 1883.21
    benzonitrile 2086.71
    trioctyl phosphate 430.38
    1-bromopropane 3215.72
    gamma-valerolactone 4345.33
    n-decanol 662.25
    triethyl phosphate 571.29
    4-methyl-2-pentanol 1671.34
    propionitrile 2955.16
    vinylene carbonate 1998.8
    1,1,2-trichlorotrifluoroethane 2390.69
    DMS 1432.38
    cumene 1115.03
    2-octanol 1055.75
    2-hexanone 1912.01
    octyl acetate 947.39
    limonene 1182.27
    1,2-dimethoxyethane 3010.71
    ethyl orthosilicate 625.59
    tributyl phosphate 567.96
    diacetone alcohol 2100.1
    N,N-dimethylaniline 1354.38
    acrylonitrile 2659.35
    aniline 2250.69
    1,3-propanediol 1515.63
    bromobenzene 2697.78
    dibromomethane 3598.85
    1,1,2,2-tetrachloroethane 5975.64
    2-methyl-cyclohexyl acetate 1113.38
    tetrabutyl urea 631.45
    diisobutyl methanol 817.57
    2-phenylethanol 1516.72
    styrene 1747.71
    dioctyl adipate 749.33
    dimethyl sulfate 1185.59
    ethyl butyrate 1382.35
    methyl lactate 892.98
    butyl lactate 1068.4
    diethyl carbonate 900.58
    propanediol butyl ether 1284.81
    triethyl orthoformate 959.69
    p-tert-butyltoluene 828.38
    methyl 4-tert-butylbenzoate 1264.97
    morpholine 4526.07
    tert-butylamine 2823.54
    n-dodecanol 458.24
    dimethoxymethane 2471.73
    ethylene carbonate 1828.07
    cyrene 835.06
    2-ethoxyethyl acetate 1617.85
    2-ethylhexyl acetate 1903.94
    1,2,4-trichlorobenzene 2243.73
    4-methylpyridine 4629.17
    dibutyl ether 1494.29
    2,6-dimethyl-4-heptanol 817.57
    DEF 3183.52
    dimethyl isosorbide 1539.86
    tetrachloroethylene 4120.66
    eugenol 1052.16
    triacetin 1296.46
    span 80 961.98
    1,4-butanediol 565.94
    1,1-dichloroethane 5328.71
    2-methyl-1-pentanol 1786.93
    methyl formate 1476.63
    2-methyl-1-butanol 3094.68
    n-decane 303.74
    butyronitrile 3439.93
    3,7-dimethyl-1-octanol 1201.13
    1-chlorooctane 1065.81
    1-chlorotetradecane 320.84
    n-nonane 338.42
    undecane 193.2
    tert-butylcyclohexane 704.95
    cyclooctane 717.44
    cyclopentanol 2539.1
    tetrahydropyran 5405.81
    tert-amyl methyl ether 3195.07
    2,5,8-trioxanonane 1396.28
    1-hexene 2451.22
    2-isopropoxyethanol 1343.15
    2,2,2-trifluoroethanol 924.76
    methyl butyrate 2036.61

    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