2,6,8-Trimethyl-4-nonanone

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  • Identifiers

    CAS number
    123-18-2

    Molecular formula
    C12H24O

    SMILES
    CC(C)CC(C)CC(=O)CC(C)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 65.33%
    Herbal 60.85%
    Green 55.46%
    Sweet 54.88%
    Mint 45.24%
    Woody 43.82%
    Floral 41.64%
    Fresh 38.29%
    Oily 34.46%
    Spicy 33.52%

     

    Flavor
    Green 55.82%
    Fruity 45.86%
    Herbal 30.09%
    Fresh 26.23%
    Tropical 25.74%
    Oily 24.65%
    Yeasty 23.0%
    Mild 22.43%
    Pineapple 22.01%
    Metallic 21.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.8

    pKa est.
    8.62 (weak base)

    Molecular weight
    184.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    215°C

    Flash point

    • 82.07 ˚C est.

  • Synonyms

    • 2,6,8-Trimethyl-4-nonanone
    • 123-18-2
    • 2,6,8-Trimethylnonan-4-one
    • 4-NONANONE, 2,6,8-TRIMETHYL-
    • EINECS 204-607-3
    • NSC 66186
    • UNII-Q95W9K98Y8
    • DTXSID7026998
    • Q95W9K98Y8
    • NSC-66186
    • DTXCID306998
    • 2,4,8-TRIMETHYLNONAN-6-ONE
    • CAS-123-18-2
    • NSC66186
    • MFCD00048361
    • 2,8-Trimethyl-4-nonanone
    • 4-Nonanone,6,8-trimethyl-
    • SCHEMBL533969
    • CHEMBL3187270
    • Tox21_201537
    • Tox21_303158
    • AKOS024348837
    • NCGC00249064-01
    • NCGC00256936-01
    • NCGC00259087-01
    • DB-041712
    • NS00007614
    • G86071
    • Q27287135
    • 204-607-3

  • Applications

    2,6,8-Trimethyl-4-nonanone (CAS 123-18-2) is primarily used as a fragrance odorant and aroma component in perfumery and flavor chemistry, contributing woody and green notes and serving as a building block in fragrance synthesis. It may also function as an intermediate in industrial manufacturing, enabling further chemical transformations to yield specialty aroma or fine chemicals. In cosmetics and personal care formulations, it can be employed as a fragrance ingredient and optional solvent or processing aid to dissolve or blend fragrance components. In household products such as cleaners and air fresheners, it is used to impart desirable scent profiles. Additionally, it may be used as a solvent or solvent-like additive in coatings, inks, and other formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4345.01
    methanol 4296.34
    isopropanol 4266.28
    water 1.71
    ethyl acetate 2615.16
    n-propanol 3484.47
    acetone 3890.23
    n-butanol 3799.71
    acetonitrile 2645.78
    DMF 2412.82
    toluene 1576.54
    isobutanol 3110.09
    1,4-dioxane 4655.11
    methyl acetate 1886.58
    THF 7614.63
    2-butanone 2713.11
    n-pentanol 2105.15
    sec-butanol 3286.06
    n-hexane 2475.26
    ethylene glycol 412.82
    NMP 2970.66
    cyclohexane 3751.88
    DMSO 1802.65
    n-butyl acetate 4051.34
    n-octanol 1839.89
    chloroform 6710.53
    n-propyl acetate 1615.13
    acetic acid 3343.9
    dichloromethane 4377.74
    cyclohexanone 5845.56
    propylene glycol 907.89
    isopropyl acetate 1979.5
    DMAc 1648.82
    2-ethoxyethanol 1292.03
    isopentanol 3163.24
    n-heptane 2131.71
    ethyl formate 1679.34
    1,2-dichloroethane 2785.36
    n-hexanol 4992.9
    2-methoxyethanol 2625.04
    isobutyl acetate 1234.35
    tetrachloromethane 1527.36
    n-pentyl acetate 1919.22
    transcutol 4464.09
    n-heptanol 1720.3
    ethylbenzene 976.54
    MIBK 1838.35
    2-propoxyethanol 3582.48
    tert-butanol 4507.49
    MTBE 3821.33
    2-butoxyethanol 1682.28
    propionic acid 2254.72
    o-xylene 987.4
    formic acid 691.09
    diethyl ether 3755.76
    m-xylene 1216.8
    p-xylene 1344.88
    chlorobenzene 2106.8
    dimethyl carbonate 502.73
    n-octane 549.5
    formamide 573.51
    cyclopentanone 4509.3
    2-pentanone 2902.74
    anisole 1147.43
    cyclopentyl methyl ether 4072.96
    gamma-butyrolactone 4046.21
    1-methoxy-2-propanol 2205.64
    pyridine 2923.52
    3-pentanone 1797.21
    furfural 2860.49
    n-dodecane 283.89
    diethylene glycol 1495.96
    diisopropyl ether 1541.45
    tert-amyl alcohol 3252.43
    acetylacetone 2148.54
    n-hexadecane 332.24
    acetophenone 1027.09
    methyl propionate 1516.87
    isopentyl acetate 3638.79
    trichloroethylene 4939.73
    n-nonanol 1475.38
    cyclohexanol 4510.41
    benzyl alcohol 955.25
    2-ethylhexanol 2886.02
    isooctanol 1296.26
    dipropyl ether 3220.33
    1,2-dichlorobenzene 1589.8
    ethyl lactate 587.05
    propylene carbonate 2752.9
    n-methylformamide 1305.61
    2-pentanol 2865.58
    n-pentane 1856.52
    1-propoxy-2-propanol 3120.49
    1-methoxy-2-propyl acetate 2303.0
    2-(2-methoxypropoxy) propanol 1206.79
    mesitylene 882.26
    ε-caprolactone 4108.06
    p-cymene 993.56
    epichlorohydrin 3689.28
    1,1,1-trichloroethane 3583.19
    2-aminoethanol 1082.12
    morpholine-4-carbaldehyde 2624.56
    sulfolane 3450.69
    2,2,4-trimethylpentane 576.43
    2-methyltetrahydrofuran 5776.14
    n-hexyl acetate 3147.89
    isooctane 574.84
    2-(2-butoxyethoxy)ethanol 1804.06
    sec-butyl acetate 1200.93
    tert-butyl acetate 2277.65
    decalin 861.53
    glycerin 853.88
    diglyme 2915.92
    acrylic acid 1468.59
    isopropyl myristate 1075.42
    n-butyric acid 4226.96
    acetyl acetate 1548.97
    di(2-ethylhexyl) phthalate 739.22
    ethyl propionate 1244.44
    nitromethane 2747.86
    1,2-diethoxyethane 2310.52
    benzonitrile 1770.7
    trioctyl phosphate 661.6
    1-bromopropane 2865.4
    gamma-valerolactone 4750.62
    n-decanol 1011.14
    triethyl phosphate 663.96
    4-methyl-2-pentanol 1544.89
    propionitrile 2232.65
    vinylene carbonate 2022.51
    1,1,2-trichlorotrifluoroethane 2479.97
    DMS 1114.98
    cumene 709.0
    2-octanol 1313.79
    2-hexanone 2113.67
    octyl acetate 1314.94
    limonene 2034.23
    1,2-dimethoxyethane 2704.04
    ethyl orthosilicate 722.04
    tributyl phosphate 838.29
    diacetone alcohol 1979.63
    N,N-dimethylaniline 795.56
    acrylonitrile 1767.46
    aniline 1528.36
    1,3-propanediol 1784.67
    bromobenzene 2123.31
    dibromomethane 3860.97
    1,1,2,2-tetrachloroethane 4416.48
    2-methyl-cyclohexyl acetate 1645.52
    tetrabutyl urea 996.74
    diisobutyl methanol 1524.49
    2-phenylethanol 1545.09
    styrene 1050.81
    dioctyl adipate 1152.75
    dimethyl sulfate 655.83
    ethyl butyrate 2035.14
    methyl lactate 681.89
    butyl lactate 1355.11
    diethyl carbonate 1055.77
    propanediol butyl ether 1569.8
    triethyl orthoformate 1350.29
    p-tert-butyltoluene 937.59
    methyl 4-tert-butylbenzoate 1150.07
    morpholine 5366.97
    tert-butylamine 3606.55
    n-dodecanol 728.71
    dimethoxymethane 1746.04
    ethylene carbonate 1958.56
    cyrene 906.9
    2-ethoxyethyl acetate 1675.15
    2-ethylhexyl acetate 2864.24
    1,2,4-trichlorobenzene 1790.61
    4-methylpyridine 3075.37
    dibutyl ether 2536.28
    2,6-dimethyl-4-heptanol 1524.49
    DEF 2170.79
    dimethyl isosorbide 2164.85
    tetrachloroethylene 3089.51
    eugenol 921.42
    triacetin 1445.79
    span 80 1506.17
    1,4-butanediol 604.84
    1,1-dichloroethane 3556.31
    2-methyl-1-pentanol 1771.21
    methyl formate 1033.26
    2-methyl-1-butanol 2803.34
    n-decane 597.4
    butyronitrile 3548.89
    3,7-dimethyl-1-octanol 1718.73
    1-chlorooctane 1487.22
    1-chlorotetradecane 532.21
    n-nonane 721.61
    undecane 389.11
    tert-butylcyclohexane 824.1
    cyclooctane 1130.3
    cyclopentanol 3638.2
    tetrahydropyran 7223.67
    tert-amyl methyl ether 2448.75
    2,5,8-trioxanonane 1619.59
    1-hexene 3456.88
    2-isopropoxyethanol 1077.56
    2,2,2-trifluoroethanol 798.11
    methyl butyrate 1807.11

    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