5-Nonanone, 4-methyl-

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  • Identifiers

    CAS number
    35900-26-6

    Molecular formula
    C10H20O

    SMILES
    CCCCC(=O)C(C)CCC

    Safety labels

  • Odor profile

    Fragrance
    Herbal 75.84%
    Fruity 69.93%
    Green 42.02%
    Spicy 40.77%
    Floral 39.27%
    Fresh 38.87%
    Mint 38.09%
    Oily 38.06%
    Ketonic 34.35%
    Earthy 34.34%

     

    Flavor
    Fruity 60.71%
    Green 60.38%
    Herbal 41.0%
    Spicy 27.66%
    Oily 26.48%
    Fresh 26.3%
    Tropical 25.08%
    Mushroom 24.21%
    Leafy 23.94%
    Floral 23.65%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    9.06 (weak base)

    Molecular weight
    156.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    195°C

    Flash point

    • 70.45 ˚C est.

  • Synonyms

    • 35900-26-6
    • 5-Nonanone, 4-methyl-
    • DTXSID00885637
    • 152203-43-5
    • RefChem:537470
    • DTXCID101025002
    • 4-Methyl-5-nonanone
    • 4-methylnonan-5-one
    • MFCD00048807
    • 4-methyl-nonan-5-one
    • SCHEMBL434439
    • orb2563912
    • LMFA12000140
    • AKOS028110118
    • HY-W710976
    • FM145399
    • DB-048893
    • CS-0818228
    • F74769
    • 35900-26-6

  • Applications

    5-Nonanone, 4-methyl- (CAS 35900-26-6) is commonly used as an odorant in perfumery, serving as a fragrance ingredient in cosmetics and personal care products. It can also function as an aroma component in household products such as cleaners and air fresheners. In the chemical industry, it is often evaluated as an intermediate in the synthesis of more complex fragrance materials and other specialty chemicals. It may act as a low- to mid-boiling solvent or processing aid in formulation environments where a neutral scent is desired. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6993.94
    methanol 6214.46
    isopropanol 7196.88
    water 1.1
    ethyl acetate 4024.11
    n-propanol 6168.59
    acetone 5327.19
    n-butanol 5717.24
    acetonitrile 5569.97
    DMF 3880.81
    toluene 2200.02
    isobutanol 4926.12
    1,4-dioxane 5645.3
    methyl acetate 3081.31
    THF 5777.23
    2-butanone 4332.89
    n-pentanol 3843.73
    sec-butanol 5808.96
    n-hexane 2271.11
    ethylene glycol 444.89
    NMP 2700.92
    cyclohexane 2578.27
    DMSO 2522.97
    n-butyl acetate 6563.06
    n-octanol 2364.16
    chloroform 12826.02
    n-propyl acetate 3148.43
    acetic acid 3062.48
    dichloromethane 9254.26
    cyclohexanone 6795.11
    propylene glycol 923.25
    isopropyl acetate 2613.37
    DMAc 2256.69
    2-ethoxyethanol 2466.49
    isopentanol 4834.82
    n-heptane 1341.55
    ethyl formate 3137.52
    1,2-dichloroethane 5217.08
    n-hexanol 5535.35
    2-methoxyethanol 3770.67
    isobutyl acetate 1947.77
    tetrachloromethane 2636.21
    n-pentyl acetate 3157.66
    transcutol 6235.37
    n-heptanol 2304.86
    ethylbenzene 1579.01
    MIBK 2142.63
    2-propoxyethanol 4225.92
    tert-butanol 6756.43
    MTBE 5720.32
    2-butoxyethanol 2666.46
    propionic acid 2869.98
    o-xylene 1240.62
    formic acid 606.05
    diethyl ether 5433.23
    m-xylene 1307.16
    p-xylene 2093.89
    chlorobenzene 3757.06
    dimethyl carbonate 552.69
    n-octane 537.23
    formamide 820.07
    cyclopentanone 4932.08
    2-pentanone 3565.11
    anisole 2204.02
    cyclopentyl methyl ether 3088.06
    gamma-butyrolactone 4493.2
    1-methoxy-2-propanol 2800.84
    pyridine 6650.97
    3-pentanone 2187.58
    furfural 3972.69
    n-dodecane 307.91
    diethylene glycol 1695.15
    diisopropyl ether 1502.26
    tert-amyl alcohol 4993.09
    acetylacetone 2440.57
    n-hexadecane 356.81
    acetophenone 1863.71
    methyl propionate 1973.44
    isopentyl acetate 5293.77
    trichloroethylene 9196.77
    n-nonanol 1841.32
    cyclohexanol 4943.57
    benzyl alcohol 1824.02
    2-ethylhexanol 3487.03
    isooctanol 1875.14
    dipropyl ether 3389.87
    1,2-dichlorobenzene 2785.12
    ethyl lactate 868.47
    propylene carbonate 3066.63
    n-methylformamide 2317.87
    2-pentanol 4162.05
    n-pentane 1525.05
    1-propoxy-2-propanol 3545.42
    1-methoxy-2-propyl acetate 2402.35
    2-(2-methoxypropoxy) propanol 1456.99
    mesitylene 881.0
    ε-caprolactone 5235.06
    p-cymene 1150.46
    epichlorohydrin 5297.69
    1,1,1-trichloroethane 6390.42
    2-aminoethanol 1467.89
    morpholine-4-carbaldehyde 3087.05
    sulfolane 3458.21
    2,2,4-trimethylpentane 538.02
    2-methyltetrahydrofuran 5792.17
    n-hexyl acetate 3558.85
    isooctane 480.56
    2-(2-butoxyethoxy)ethanol 2188.84
    sec-butyl acetate 2058.51
    tert-butyl acetate 2353.25
    decalin 809.51
    glycerin 884.8
    diglyme 3973.96
    acrylic acid 1859.11
    isopropyl myristate 1160.46
    n-butyric acid 5643.71
    acetyl acetate 1739.29
    di(2-ethylhexyl) phthalate 836.6
    ethyl propionate 2071.33
    nitromethane 3506.57
    1,2-diethoxyethane 3725.0
    benzonitrile 4040.62
    trioctyl phosphate 707.01
    1-bromopropane 5019.87
    gamma-valerolactone 5567.85
    n-decanol 1218.21
    triethyl phosphate 837.1
    4-methyl-2-pentanol 1982.43
    propionitrile 5091.13
    vinylene carbonate 2849.2
    1,1,2-trichlorotrifluoroethane 2970.44
    DMS 1294.08
    cumene 1029.82
    2-octanol 1891.62
    2-hexanone 3534.04
    octyl acetate 1361.49
    limonene 1971.63
    1,2-dimethoxyethane 5325.6
    ethyl orthosilicate 921.12
    tributyl phosphate 917.67
    diacetone alcohol 1883.53
    N,N-dimethylaniline 1324.9
    acrylonitrile 4520.95
    aniline 2444.65
    1,3-propanediol 2524.86
    bromobenzene 4004.26
    dibromomethane 7374.02
    1,1,2,2-tetrachloroethane 7499.24
    2-methyl-cyclohexyl acetate 1800.79
    tetrabutyl urea 1093.85
    diisobutyl methanol 1653.11
    2-phenylethanol 2210.96
    styrene 2121.32
    dioctyl adipate 1324.69
    dimethyl sulfate 697.6
    ethyl butyrate 3090.58
    methyl lactate 761.39
    butyl lactate 1759.13
    diethyl carbonate 1677.46
    propanediol butyl ether 2045.8
    triethyl orthoformate 1848.03
    p-tert-butyltoluene 1052.71
    methyl 4-tert-butylbenzoate 1355.9
    morpholine 7230.12
    tert-butylamine 5155.29
    n-dodecanol 868.17
    dimethoxymethane 1837.45
    ethylene carbonate 2696.8
    cyrene 932.35
    2-ethoxyethyl acetate 2499.4
    2-ethylhexyl acetate 3840.73
    1,2,4-trichlorobenzene 2804.01
    4-methylpyridine 6207.27
    dibutyl ether 3371.86
    2,6-dimethyl-4-heptanol 1653.11
    DEF 3432.4
    dimethyl isosorbide 2008.43
    tetrachloroethylene 5270.97
    eugenol 1404.63
    triacetin 1623.96
    span 80 1640.17
    1,4-butanediol 1064.29
    1,1-dichloroethane 7711.81
    2-methyl-1-pentanol 3211.99
    methyl formate 1520.7
    2-methyl-1-butanol 4360.93
    n-decane 615.98
    butyronitrile 6912.1
    3,7-dimethyl-1-octanol 2180.45
    1-chlorooctane 1852.22
    1-chlorotetradecane 609.68
    n-nonane 716.54
    undecane 414.3
    tert-butylcyclohexane 799.25
    cyclooctane 658.32
    cyclopentanol 4138.1
    tetrahydropyran 8062.49
    tert-amyl methyl ether 3108.65
    2,5,8-trioxanonane 2120.56
    1-hexene 4920.18
    2-isopropoxyethanol 1927.83
    2,2,2-trifluoroethanol 680.88
    methyl butyrate 3690.39

    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