2,4-Dimethyl-3-Hexanone

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    18641-70-8

    Molecular formula
    C8H16O

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

  • Odor profile

    Fruity 86.39%
    Herbal 69.44%
    Ketonic 52.6%
    Ethereal 47.51%
    Cheesy 42.01%
    Mint 39.48%
    Fresh 39.38%
    Sweet 33.24%
    Green 31.48%
    Fermented 28.06%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    146°C

    Flash point est.
    37.68 ˚C

  • Synonyms

    • 2,4-Dimethyl-3-hexanone
    • 2,4-dimethylhexan-3-one
    • 18641-70-8
    • 3-Hexanone, 2,4-dimethyl-
    • 2,4-Dimethyl hexanone-3
    • SCHEMBL269836
    • DTXSID70940080
    • TAA64170
    • AKOS013029676
    • DB-044598
    • EN300-1245331

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3003.59
    methanol 3977.36
    isopropanol 2930.23
    water 16.75
    ethyl acetate 2190.41
    n-propanol 2741.77
    acetone 2802.45
    n-butanol 2486.87
    acetonitrile 3686.24
    DMF 2263.63
    toluene 1280.18
    isobutanol 2491.48
    1,4-dioxane 3572.85
    methyl acetate 2284.9
    THF 3920.07
    2-butanone 2697.89
    n-pentanol 1862.65
    sec-butanol 2795.08
    n-hexane 1489.58
    ethylene glycol 527.46
    NMP 2721.22
    cyclohexane 1263.94
    DMSO 1665.68
    n-butyl acetate 3008.27
    n-octanol 1937.13
    chloroform 8319.19
    n-propyl acetate 1841.38
    acetic acid 2349.52
    dichloromethane 6437.0
    cyclohexanone 3989.97
    propylene glycol 744.93
    isopropyl acetate 1537.66
    DMAc 1829.09
    2-ethoxyethanol 1820.37
    isopentanol 2475.7
    n-heptane 821.39
    ethyl formate 1732.51
    1,2-dichloroethane 3516.43
    n-hexanol 2623.51
    2-methoxyethanol 2474.98
    isobutyl acetate 1363.98
    tetrachloromethane 2683.07
    n-pentyl acetate 2259.17
    transcutol 4173.57
    n-heptanol 1665.9
    ethylbenzene 1133.33
    MIBK 1527.59
    2-propoxyethanol 2600.4
    tert-butanol 3349.95
    MTBE 3330.08
    2-butoxyethanol 1942.38
    propionic acid 2157.55
    o-xylene 1081.66
    formic acid 743.19
    diethyl ether 2606.33
    m-xylene 1043.2
    p-xylene 1580.57
    chlorobenzene 2375.51
    dimethyl carbonate 539.03
    n-octane 441.26
    formamide 831.9
    cyclopentanone 3607.85
    2-pentanone 2089.79
    anisole 1682.77
    cyclopentyl methyl ether 2403.64
    gamma-butyrolactone 3646.1
    1-methoxy-2-propanol 1764.21
    pyridine 2845.8
    3-pentanone 1688.9
    furfural 3283.92
    n-dodecane 260.96
    diethylene glycol 1333.59
    diisopropyl ether 1198.09
    tert-amyl alcohol 3014.26
    acetylacetone 1743.24
    n-hexadecane 297.71
    acetophenone 1436.2
    methyl propionate 1430.52
    isopentyl acetate 2673.27
    trichloroethylene 6203.17
    n-nonanol 1514.24
    cyclohexanol 2482.76
    benzyl alcohol 1225.66
    2-ethylhexanol 1959.76
    isooctanol 1383.92
    dipropyl ether 1889.71
    1,2-dichlorobenzene 2261.71
    ethyl lactate 746.36
    propylene carbonate 2298.66
    n-methylformamide 1624.54
    2-pentanol 2031.49
    n-pentane 930.79
    1-propoxy-2-propanol 2079.88
    1-methoxy-2-propyl acetate 1526.52
    2-(2-methoxypropoxy) propanol 1128.81
    mesitylene 799.98
    ε-caprolactone 3351.43
    p-cymene 961.42
    epichlorohydrin 3770.86
    1,1,1-trichloroethane 4694.08
    2-aminoethanol 1157.38
    morpholine-4-carbaldehyde 2620.57
    sulfolane 3605.87
    2,2,4-trimethylpentane 545.7
    2-methyltetrahydrofuran 4104.2
    n-hexyl acetate 2946.47
    isooctane 436.41
    2-(2-butoxyethoxy)ethanol 1662.62
    sec-butyl acetate 1329.79
    tert-butyl acetate 1735.97
    decalin 666.92
    glycerin 818.86
    diglyme 2982.99
    acrylic acid 1658.9
    isopropyl myristate 961.62
    n-butyric acid 2871.16
    acetyl acetate 1283.02
    di(2-ethylhexyl) phthalate 656.64
    ethyl propionate 1458.25
    nitromethane 3061.69
    1,2-diethoxyethane 2459.4
    benzonitrile 2435.84
    trioctyl phosphate 601.35
    1-bromopropane 2878.97
    gamma-valerolactone 3868.56
    n-decanol 1008.23
    triethyl phosphate 702.29
    4-methyl-2-pentanol 1238.75
    propionitrile 2883.76
    vinylene carbonate 2189.41
    1,1,2-trichlorotrifluoroethane 2375.46
    DMS 1243.9
    cumene 923.89
    2-octanol 1494.84
    2-hexanone 2148.46
    octyl acetate 1173.73
    limonene 1366.66
    1,2-dimethoxyethane 3013.51
    ethyl orthosilicate 768.84
    tributyl phosphate 761.72
    diacetone alcohol 1511.21
    N,N-dimethylaniline 1124.88
    acrylonitrile 2949.9
    aniline 1481.59
    1,3-propanediol 1727.96
    bromobenzene 2579.12
    dibromomethane 4796.35
    1,1,2,2-tetrachloroethane 5237.39
    2-methyl-cyclohexyl acetate 1355.73
    tetrabutyl urea 850.7
    diisobutyl methanol 1058.22
    2-phenylethanol 1435.95
    styrene 1312.84
    dioctyl adipate 1014.45
    dimethyl sulfate 843.27
    ethyl butyrate 1799.11
    methyl lactate 691.76
    butyl lactate 1330.39
    diethyl carbonate 1112.58
    propanediol butyl ether 1670.61
    triethyl orthoformate 1227.3
    p-tert-butyltoluene 880.91
    methyl 4-tert-butylbenzoate 1264.05
    morpholine 3610.25
    tert-butylamine 2757.62
    n-dodecanol 716.87
    dimethoxymethane 1370.0
    ethylene carbonate 1894.38
    cyrene 853.34
    2-ethoxyethyl acetate 1905.98
    2-ethylhexyl acetate 2154.95
    1,2,4-trichlorobenzene 2402.91
    4-methylpyridine 3256.42
    dibutyl ether 2257.64
    2,6-dimethyl-4-heptanol 1058.22
    DEF 2160.26
    dimethyl isosorbide 1760.65
    tetrachloroethylene 4151.47
    eugenol 1190.21
    triacetin 1418.16
    span 80 1192.23
    1,4-butanediol 889.05
    1,1-dichloroethane 4482.66
    2-methyl-1-pentanol 1833.88
    methyl formate 1355.32
    2-methyl-1-butanol 2459.85
    n-decane 517.99
    butyronitrile 3199.04
    3,7-dimethyl-1-octanol 1642.03
    1-chlorooctane 1516.71
    1-chlorotetradecane 535.98
    n-nonane 595.42
    undecane 350.93
    tert-butylcyclohexane 770.74
    cyclooctane 478.39
    cyclopentanol 2646.05
    tetrahydropyran 3788.8
    tert-amyl methyl ether 2290.34
    2,5,8-trioxanonane 1559.23
    1-hexene 2519.81
    2-isopropoxyethanol 1486.72
    2,2,2-trifluoroethanol 805.82
    methyl butyrate 2112.64

    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
Aglaia odorata flower (China) Aglaia odorata Lour., fam. Meliaceae 0.1%
Carob bean powder 2b roasted 9000-40-2 Ceratonia siliqua L., fam. Leguminoseae 0.09%