2-Methyl-3-octanone

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  • Identifiers

    CAS number
    923-28-4

    Molecular formula
    C9H18O

    SMILES
    CCCCCC(=O)C(C)C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 89.11%
    Herbal 81.83%
    Green 70.29%
    Ketonic 53.58%
    Cheesy 51.56%
    Fresh 45.0%
    Sweet 44.92%
    Spicy 41.22%
    Earthy 41.19%
    Oily 40.58%

     

    Flavor
    Fruity 77.17%
    Green 68.63%
    Herbal 38.36%
    Floral 31.79%
    Tropical 31.17%
    Fresh 30.91%
    Berry 30.05%
    Oily 30.02%
    Sweet 28.89%
    Mushroom 27.56%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    9.22 (weak base)

    Molecular weight
    142.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    180°C

    Flash point

    • 56.78 ˚C est.

  • Synonyms

    • 2-Methyloctan-3-one
    • 2-Methyl-3-octanone
    • 3-Octanone, 2-methyl-
    • Isopropyl pentyl ketone
    • Y5UD2Y63N6
    • EINECS 213-092-4
    • NSC-21982
    • DTXSID10238958
    • NSC 21982
    • RefChem:88091
    • DTXCID60161449
    • ODSKXCNVESXQCZ-UHFFFAOYSA-N
    • 923-28-4
    • n-AMYL ISOPROPYL KETONE
    • N-AMYLISOPROPYLKETONE
    • AMYL ISOPROPYL KETONE
    • NSC21982
    • UNII-Y5UD2Y63N6
    • SCHEMBL1272620
    • SCHEMBL6050258
    • SCHEMBL7768260
    • SCHEMBL11623335
    • SCHEMBL28639361
    • AKOS009157471
    • DB-057299
    • NS00039454
    • 923-28-4

  • Applications

    2-Methyl-3-octanone (CAS 923-28-4) is primarily used as a fragrance ingredient in perfumery and cosmetics, contributing a warm, woody note; it is also employed as an odorant in household products such as cleaners and air fresheners, and is often evaluated for use as a flavor/aroma component in broader sensory applications; in industrial manufacturing it can serve as an intermediate in organic synthesis, and it may function as a processing aid or odor-active additive in coatings and inks.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7539.84
    methanol 6881.85
    isopropanol 7628.68
    water 1.98
    ethyl acetate 5057.82
    n-propanol 6274.14
    acetone 6486.6
    n-butanol 6107.16
    acetonitrile 6164.55
    DMF 3659.81
    toluene 2066.55
    isobutanol 5077.28
    1,4-dioxane 6209.92
    methyl acetate 3726.88
    THF 6646.53
    2-butanone 4883.2
    n-pentanol 4053.5
    sec-butanol 6397.47
    n-hexane 2785.3
    ethylene glycol 490.46
    NMP 2853.79
    cyclohexane 2589.91
    DMSO 2467.19
    n-butyl acetate 7120.75
    n-octanol 2268.27
    chloroform 12839.88
    n-propyl acetate 3729.39
    acetic acid 4219.52
    dichloromethane 8899.75
    cyclohexanone 7028.88
    propylene glycol 1017.52
    isopropyl acetate 3384.74
    DMAc 2519.56
    2-ethoxyethanol 2828.32
    isopentanol 5749.8
    n-heptane 1372.68
    ethyl formate 3406.71
    1,2-dichloroethane 4875.79
    n-hexanol 5618.48
    2-methoxyethanol 4044.04
    isobutyl acetate 2234.94
    tetrachloromethane 3029.89
    n-pentyl acetate 3429.83
    transcutol 7676.76
    n-heptanol 2297.65
    ethylbenzene 1518.48
    MIBK 2513.29
    2-propoxyethanol 4529.78
    tert-butanol 8089.37
    MTBE 7115.17
    2-butoxyethanol 2778.12
    propionic acid 3438.18
    o-xylene 1258.47
    formic acid 825.56
    diethyl ether 6350.49
    m-xylene 1266.76
    p-xylene 2191.48
    chlorobenzene 3485.74
    dimethyl carbonate 552.73
    n-octane 496.68
    formamide 1025.92
    cyclopentanone 5244.59
    2-pentanone 4133.36
    anisole 2147.21
    cyclopentyl methyl ether 3670.72
    gamma-butyrolactone 4934.27
    1-methoxy-2-propanol 3043.13
    pyridine 6512.6
    3-pentanone 2462.64
    furfural 4188.12
    n-dodecane 258.66
    diethylene glycol 1857.45
    diisopropyl ether 1847.49
    tert-amyl alcohol 6207.51
    acetylacetone 3025.54
    n-hexadecane 300.4
    acetophenone 1816.81
    methyl propionate 2277.67
    isopentyl acetate 5912.49
    trichloroethylene 9107.17
    n-nonanol 1833.72
    cyclohexanol 5084.75
    benzyl alcohol 1805.25
    2-ethylhexanol 3828.06
    isooctanol 1927.53
    dipropyl ether 3766.1
    1,2-dichlorobenzene 2543.56
    ethyl lactate 915.08
    propylene carbonate 3237.64
    n-methylformamide 2261.13
    2-pentanol 4490.15
    n-pentane 1708.17
    1-propoxy-2-propanol 3953.27
    1-methoxy-2-propyl acetate 2723.02
    2-(2-methoxypropoxy) propanol 1652.97
    mesitylene 886.47
    ε-caprolactone 5781.37
    p-cymene 1132.86
    epichlorohydrin 5516.1
    1,1,1-trichloroethane 6857.03
    2-aminoethanol 1628.89
    morpholine-4-carbaldehyde 3511.72
    sulfolane 3546.76
    2,2,4-trimethylpentane 611.46
    2-methyltetrahydrofuran 7077.0
    n-hexyl acetate 3955.83
    isooctane 534.19
    2-(2-butoxyethoxy)ethanol 2465.44
    sec-butyl acetate 2583.75
    tert-butyl acetate 3021.59
    decalin 839.58
    glycerin 987.93
    diglyme 4404.81
    acrylic acid 2171.22
    isopropyl myristate 1135.64
    n-butyric acid 6885.15
    acetyl acetate 2249.12
    di(2-ethylhexyl) phthalate 864.76
    ethyl propionate 2416.31
    nitromethane 4627.58
    1,2-diethoxyethane 4488.13
    benzonitrile 3914.02
    trioctyl phosphate 674.14
    1-bromopropane 4936.85
    gamma-valerolactone 6167.04
    n-decanol 1181.45
    triethyl phosphate 895.74
    4-methyl-2-pentanol 2242.0
    propionitrile 5133.8
    vinylene carbonate 2826.68
    1,1,2-trichlorotrifluoroethane 3311.37
    DMS 1366.37
    cumene 1043.81
    2-octanol 1847.26
    2-hexanone 3962.26
    octyl acetate 1336.47
    limonene 1931.37
    1,2-dimethoxyethane 5749.33
    ethyl orthosilicate 1050.46
    tributyl phosphate 952.3
    diacetone alcohol 2333.31
    N,N-dimethylaniline 1329.55
    acrylonitrile 4484.99
    aniline 2638.77
    1,3-propanediol 2693.07
    bromobenzene 3682.07
    dibromomethane 6893.07
    1,1,2,2-tetrachloroethane 7544.83
    2-methyl-cyclohexyl acetate 1998.29
    tetrabutyl urea 1037.15
    diisobutyl methanol 1680.49
    2-phenylethanol 2212.45
    styrene 1992.95
    dioctyl adipate 1337.9
    dimethyl sulfate 702.82
    ethyl butyrate 3556.8
    methyl lactate 808.27
    butyl lactate 1819.85
    diethyl carbonate 1844.66
    propanediol butyl ether 2061.89
    triethyl orthoformate 2122.74
    p-tert-butyltoluene 1068.85
    methyl 4-tert-butylbenzoate 1340.83
    morpholine 7896.82
    tert-butylamine 6584.63
    n-dodecanol 831.63
    dimethoxymethane 1851.28
    ethylene carbonate 2694.61
    cyrene 1027.29
    2-ethoxyethyl acetate 2779.76
    2-ethylhexyl acetate 4241.64
    1,2,4-trichlorobenzene 2681.12
    4-methylpyridine 6310.79
    dibutyl ether 3576.58
    2,6-dimethyl-4-heptanol 1680.49
    DEF 3891.65
    dimethyl isosorbide 2156.14
    tetrachloroethylene 5656.93
    eugenol 1385.12
    triacetin 1804.99
    span 80 1793.54
    1,4-butanediol 1065.0
    1,1-dichloroethane 7599.06
    2-methyl-1-pentanol 3583.05
    methyl formate 1475.4
    2-methyl-1-butanol 4866.91
    n-decane 544.47
    butyronitrile 6967.15
    3,7-dimethyl-1-octanol 2221.27
    1-chlorooctane 1706.18
    1-chlorotetradecane 543.35
    n-nonane 616.32
    undecane 354.86
    tert-butylcyclohexane 855.75
    cyclooctane 622.01
    cyclopentanol 4207.94
    tetrahydropyran 8504.35
    tert-amyl methyl ether 3897.22
    2,5,8-trioxanonane 2261.74
    1-hexene 5694.2
    2-isopropoxyethanol 2309.91
    2,2,2-trifluoroethanol 884.55
    methyl butyrate 4055.63

    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