3-Methyl-4-nonanone

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  • Identifiers

    CAS number
    35778-39-3

    Molecular formula
    C10H20O

    SMILES
    CCCCCC(=O)C(C)CC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 78.88%
    Herbal 73.33%
    Green 48.87%
    Ketonic 43.09%
    Earthy 41.41%
    Cheesy 40.22%
    Fresh 39.36%
    Oily 39.28%
    Fatty 38.82%
    Spicy 38.15%

     

    Flavor
    Fruity 74.23%
    Green 64.91%
    Herbal 48.28%
    Sweet 39.8%
    Fresh 34.32%
    Waxy 31.63%
    Floral 31.45%
    Berry 30.74%
    Oily 30.05%
    Mushroom 28.29%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    9.11 (weak base)

    Molecular weight
    156.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    199°C

    Flash point

    • 69.65 ˚C est.

  • Synonyms

    • 3-Methyl-4-nonanone
    • 35778-39-3
    • 3-methylnonan-4-one
    • NSC174064
    • SCHEMBL3409269
    • MFCD00027283
    • AKOS013028153
    • NSC 174064
    • NSC-174064
    • BS-16653
    • CS-0199105
    • D84197
    • 35778-39-3

  • Applications

    3-Methyl-4-nonanone (CAS 35778-39-3) is primarily used as a fragrance ingredient and odorant in perfumery and cosmetics, contributing fruity notes and commonly appearing in household and cleaning product formulations as part of fragrance systems. It also serves as an intermediate in organic synthesis for aroma-related compounds. In industrial manufacturing it can function as a solvent or processing aid in formulations, including coatings and inks. In some cases it is evaluated for use in polymers or plastics as a processing or aroma-related additive, with use subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14516.79
    methanol 12312.47
    isopropanol 14696.1
    water 1.24
    ethyl acetate 12067.35
    n-propanol 12776.78
    acetone 16329.15
    n-butanol 11975.64
    acetonitrile 14627.79
    DMF 7768.77
    toluene 4389.14
    isobutanol 10468.17
    1,4-dioxane 13378.74
    methyl acetate 8115.38
    THF 13784.96
    2-butanone 11291.28
    n-pentanol 7455.88
    sec-butanol 12286.9
    n-hexane 5334.18
    ethylene glycol 638.32
    NMP 5578.59
    cyclohexane 6266.45
    DMSO 5365.41
    n-butyl acetate 14889.26
    n-octanol 3803.44
    chloroform 23692.34
    n-propyl acetate 8253.87
    acetic acid 7154.95
    dichloromethane 18321.11
    cyclohexanone 16344.15
    propylene glycol 1407.22
    isopropyl acetate 7516.77
    DMAc 4477.68
    2-ethoxyethanol 5050.54
    isopentanol 11105.65
    n-heptane 2520.58
    ethyl formate 7005.77
    1,2-dichloroethane 11685.71
    n-hexanol 10084.6
    2-methoxyethanol 7496.8
    isobutyl acetate 4384.41
    tetrachloromethane 5405.14
    n-pentyl acetate 6768.56
    transcutol 14721.99
    n-heptanol 3729.39
    ethylbenzene 2921.93
    MIBK 5323.64
    2-propoxyethanol 7952.5
    tert-butanol 15514.28
    MTBE 15860.73
    2-butoxyethanol 4305.05
    propionic acid 6244.3
    o-xylene 2325.8
    formic acid 1164.33
    diethyl ether 16128.61
    m-xylene 2414.67
    p-xylene 3964.62
    chlorobenzene 7369.73
    dimethyl carbonate 1109.79
    n-octane 916.24
    formamide 1765.28
    cyclopentanone 11429.86
    2-pentanone 9868.94
    anisole 4182.62
    cyclopentyl methyl ether 7995.97
    gamma-butyrolactone 10284.29
    1-methoxy-2-propanol 5604.74
    pyridine 14489.89
    3-pentanone 5780.39
    furfural 7482.8
    n-dodecane 434.59
    diethylene glycol 2788.48
    diisopropyl ether 4265.53
    tert-amyl alcohol 11618.51
    acetylacetone 6400.29
    n-hexadecane 513.52
    acetophenone 3315.83
    methyl propionate 5198.23
    isopentyl acetate 11397.95
    trichloroethylene 19423.62
    n-nonanol 3029.88
    cyclohexanol 10568.62
    benzyl alcohol 3146.29
    2-ethylhexanol 6597.78
    isooctanol 3147.43
    dipropyl ether 8195.44
    1,2-dichlorobenzene 5104.23
    ethyl lactate 1527.76
    propylene carbonate 6063.14
    n-methylformamide 4840.4
    2-pentanol 8846.92
    n-pentane 3391.61
    1-propoxy-2-propanol 6857.86
    1-methoxy-2-propyl acetate 5291.62
    2-(2-methoxypropoxy) propanol 2547.49
    mesitylene 1674.99
    ε-caprolactone 12248.71
    p-cymene 1865.14
    epichlorohydrin 11672.48
    1,1,1-trichloroethane 13849.27
    2-aminoethanol 2432.4
    morpholine-4-carbaldehyde 6275.04
    sulfolane 6834.1
    2,2,4-trimethylpentane 1057.07
    2-methyltetrahydrofuran 14363.14
    n-hexyl acetate 7174.37
    isooctane 977.93
    2-(2-butoxyethoxy)ethanol 3928.56
    sec-butyl acetate 5223.99
    tert-butyl acetate 6339.38
    decalin 1636.52
    glycerin 1329.56
    diglyme 7441.77
    acrylic acid 3674.16
    isopropyl myristate 2057.55
    n-butyric acid 13282.44
    acetyl acetate 4623.95
    di(2-ethylhexyl) phthalate 1355.84
    ethyl propionate 5402.95
    nitromethane 9415.62
    1,2-diethoxyethane 9907.46
    benzonitrile 7472.76
    trioctyl phosphate 1109.58
    1-bromopropane 10908.32
    gamma-valerolactone 12486.44
    n-decanol 1933.16
    triethyl phosphate 1472.68
    4-methyl-2-pentanol 4066.53
    propionitrile 11312.33
    vinylene carbonate 5370.7
    1,1,2-trichlorotrifluoroethane 5559.92
    DMS 2509.89
    cumene 1837.91
    2-octanol 3099.39
    2-hexanone 8159.97
    octyl acetate 2396.89
    limonene 3554.53
    1,2-dimethoxyethane 11701.43
    ethyl orthosilicate 1728.54
    tributyl phosphate 1600.26
    diacetone alcohol 4290.46
    N,N-dimethylaniline 2329.0
    acrylonitrile 9764.91
    aniline 5338.81
    1,3-propanediol 4487.53
    bromobenzene 7735.53
    dibromomethane 14549.25
    1,1,2,2-tetrachloroethane 14864.53
    2-methyl-cyclohexyl acetate 3357.95
    tetrabutyl urea 1825.93
    diisobutyl methanol 2902.24
    2-phenylethanol 3746.22
    styrene 4178.79
    dioctyl adipate 2198.66
    dimethyl sulfate 1366.32
    ethyl butyrate 7114.64
    methyl lactate 1390.88
    butyl lactate 3098.42
    diethyl carbonate 3354.9
    propanediol butyl ether 3109.38
    triethyl orthoformate 3876.33
    p-tert-butyltoluene 1735.12
    methyl 4-tert-butylbenzoate 2174.55
    morpholine 17409.83
    tert-butylamine 12721.54
    n-dodecanol 1353.76
    dimethoxymethane 4156.41
    ethylene carbonate 5535.74
    cyrene 1490.48
    2-ethoxyethyl acetate 5425.0
    2-ethylhexyl acetate 8050.26
    1,2,4-trichlorobenzene 5173.25
    4-methylpyridine 13519.16
    dibutyl ether 7342.99
    2,6-dimethyl-4-heptanol 2902.24
    DEF 8808.7
    dimethyl isosorbide 3508.11
    tetrachloroethylene 10701.62
    eugenol 2144.91
    triacetin 2995.09
    span 80 2778.97
    1,4-butanediol 1592.34
    1,1-dichloroethane 16479.91
    2-methyl-1-pentanol 6621.42
    methyl formate 3123.17
    2-methyl-1-butanol 9740.25
    n-decane 967.95
    butyronitrile 15111.37
    3,7-dimethyl-1-octanol 3764.66
    1-chlorooctane 3136.34
    1-chlorotetradecane 945.64
    n-nonane 1138.19
    undecane 604.06
    tert-butylcyclohexane 1564.14
    cyclooctane 1327.03
    cyclopentanol 8311.68
    tetrahydropyran 20907.27
    tert-amyl methyl ether 8001.0
    2,5,8-trioxanonane 3669.75
    1-hexene 11518.6
    2-isopropoxyethanol 3997.51
    2,2,2-trifluoroethanol 1415.58
    methyl butyrate 9115.77

    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