2-Methylnonan-3-one

Overview IFRA Request a quote

  • Identifiers

    CAS number
    5445-31-8

    Molecular formula
    C10H20O

    SMILES
    CCCCCCC(=O)C(C)C

    Safety labels

  • Odor profile

    Fragrance
    Fruity 81.97%
    Herbal 77.6%
    Green 66.24%
    Floral 51.37%
    Fresh 48.03%
    Oily 44.73%
    Fatty 44.65%
    Sweet 43.16%
    Spicy 42.8%
    Earthy 42.07%

     

    Flavor
    Fruity 71.12%
    Green 66.84%
    Floral 45.09%
    Herbal 43.57%
    Fresh 35.51%
    Waxy 34.14%
    Oily 33.74%
    Citrus 30.66%
    Mushroom 30.19%
    Tropical 29.28%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.4

    pKa est.
    9.36 (weak base)

    Molecular weight
    156.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    201°C

    Flash point

    • 68.87 ˚C est.

  • Synonyms

    • 2-Methylnonan-3-one
    • 2-Methyl-3-nonanone
    • 3-Nonanone, 2-methyl-
    • Hexyl isopropyl ketone
    • EINECS 226-648-6
    • DTXSID70202852
    • NSC 21991
    • RefChem:88347
    • DTXCID00125343
    • 226-648-6
    • OPZBFCHDGBPBRJ-UHFFFAOYSA-N
    • 5445-31-8
    • NSC-21991
    • NSC21991
    • SCHEMBL1604484
    • 888NTF35B2
    • AKOS009390061
    • DB-052575
    • NS00033088
    • 5445-31-8

  • Applications

    2-Methylnonan-3-one is a long-chain ketone that is commonly used as a fragrance ingredient and as an intermediate in fragrance synthesis. It may serve as a cosmetic/personal care fragrance component, and can be formulated into household products such as cleaners and air fresheners to impart scent. In industrial manufacturing, it is used as an intermediate in organic synthesis and fragrance-related formulations; in coatings and inks, it can function as a component or precursor in fragrance-containing formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12208.5
    methanol 10976.36
    isopropanol 12916.59
    water 0.76
    ethyl acetate 13018.54
    n-propanol 10620.74
    acetone 17504.86
    n-butanol 10310.83
    acetonitrile 13830.88
    DMF 8681.2
    toluene 4333.77
    isobutanol 9339.55
    1,4-dioxane 10613.6
    methyl acetate 8777.55
    THF 12197.99
    2-butanone 12629.74
    n-pentanol 6468.93
    sec-butanol 10900.36
    n-hexane 6077.35
    ethylene glycol 637.0
    NMP 5825.87
    cyclohexane 4680.73
    DMSO 6146.13
    n-butyl acetate 14921.93
    n-octanol 3631.59
    chloroform 20117.4
    n-propyl acetate 9124.94
    acetic acid 6036.28
    dichloromethane 15295.74
    cyclohexanone 15276.34
    propylene glycol 1500.08
    isopropyl acetate 8381.26
    DMAc 5181.49
    2-ethoxyethanol 4903.48
    isopentanol 10342.3
    n-heptane 2130.75
    ethyl formate 6615.89
    1,2-dichloroethane 10438.89
    n-hexanol 8469.43
    2-methoxyethanol 7268.31
    isobutyl acetate 4919.57
    tetrachloromethane 5166.49
    n-pentyl acetate 6805.76
    transcutol 16089.89
    n-heptanol 3450.69
    ethylbenzene 3136.49
    MIBK 5974.54
    2-propoxyethanol 7911.82
    tert-butanol 15109.43
    MTBE 16963.32
    2-butoxyethanol 4476.44
    propionic acid 6068.55
    o-xylene 2603.1
    formic acid 1084.74
    diethyl ether 14485.21
    m-xylene 2701.07
    p-xylene 4101.9
    chlorobenzene 6714.55
    dimethyl carbonate 1295.93
    n-octane 822.89
    formamide 1733.82
    cyclopentanone 11420.73
    2-pentanone 10983.92
    anisole 4431.38
    cyclopentyl methyl ether 8127.93
    gamma-butyrolactone 10040.76
    1-methoxy-2-propanol 5968.89
    pyridine 11355.89
    3-pentanone 6835.06
    furfural 7503.39
    n-dodecane 379.77
    diethylene glycol 2916.22
    diisopropyl ether 4539.05
    tert-amyl alcohol 11998.98
    acetylacetone 7476.29
    n-hexadecane 453.62
    acetophenone 3624.05
    methyl propionate 5992.08
    isopentyl acetate 11353.54
    trichloroethylene 17513.31
    n-nonanol 2879.85
    cyclohexanol 9184.04
    benzyl alcohol 3066.63
    2-ethylhexanol 6170.82
    isooctanol 3091.83
    dipropyl ether 8064.63
    1,2-dichlorobenzene 5241.5
    ethyl lactate 1828.17
    propylene carbonate 6116.69
    n-methylformamide 5005.72
    2-pentanol 8225.77
    n-pentane 3002.73
    1-propoxy-2-propanol 7469.78
    1-methoxy-2-propyl acetate 6084.56
    2-(2-methoxypropoxy) propanol 2983.03
    mesitylene 1873.8
    ε-caprolactone 11434.77
    p-cymene 1982.33
    epichlorohydrin 10621.71
    1,1,1-trichloroethane 14088.92
    2-aminoethanol 2405.93
    morpholine-4-carbaldehyde 6614.29
    sulfolane 7906.3
    2,2,4-trimethylpentane 1143.01
    2-methyltetrahydrofuran 13913.04
    n-hexyl acetate 7621.43
    isooctane 1003.07
    2-(2-butoxyethoxy)ethanol 4425.09
    sec-butyl acetate 6127.77
    tert-butyl acetate 7589.28
    decalin 1680.39
    glycerin 1454.31
    diglyme 7988.4
    acrylic acid 3611.9
    isopropyl myristate 2130.97
    n-butyric acid 12522.17
    acetyl acetate 4926.17
    di(2-ethylhexyl) phthalate 1432.75
    ethyl propionate 6479.9
    nitromethane 8892.28
    1,2-diethoxyethane 10279.05
    benzonitrile 6992.23
    trioctyl phosphate 1177.61
    1-bromopropane 10160.85
    gamma-valerolactone 12599.45
    n-decanol 1900.2
    triethyl phosphate 1605.86
    4-methyl-2-pentanol 4219.36
    propionitrile 10947.35
    vinylene carbonate 5257.42
    1,1,2-trichlorotrifluoroethane 6105.15
    DMS 2923.17
    cumene 2000.25
    2-octanol 3093.58
    2-hexanone 9247.62
    octyl acetate 2515.05
    limonene 3571.91
    1,2-dimethoxyethane 11091.66
    ethyl orthosilicate 1927.06
    tributyl phosphate 1761.95
    diacetone alcohol 5303.68
    N,N-dimethylaniline 2563.39
    acrylonitrile 9490.54
    aniline 5033.43
    1,3-propanediol 4195.07
    bromobenzene 7268.53
    dibromomethane 12592.84
    1,1,2,2-tetrachloroethane 14631.02
    2-methyl-cyclohexyl acetate 3700.0
    tetrabutyl urea 1963.62
    diisobutyl methanol 3020.54
    2-phenylethanol 3575.45
    styrene 4176.83
    dioctyl adipate 2428.64
    dimethyl sulfate 1705.72
    ethyl butyrate 7474.42
    methyl lactate 1652.87
    butyl lactate 3502.9
    diethyl carbonate 3481.55
    propanediol butyl ether 3506.33
    triethyl orthoformate 4083.7
    p-tert-butyltoluene 1832.45
    methyl 4-tert-butylbenzoate 2465.13
    morpholine 13887.92
    tert-butylamine 11943.11
    n-dodecanol 1316.19
    dimethoxymethane 4586.22
    ethylene carbonate 5256.61
    cyrene 1738.09
    2-ethoxyethyl acetate 5913.19
    2-ethylhexyl acetate 8335.47
    1,2,4-trichlorobenzene 5411.55
    4-methylpyridine 12510.8
    dibutyl ether 7807.53
    2,6-dimethyl-4-heptanol 3020.54
    DEF 10250.53
    dimethyl isosorbide 3952.72
    tetrachloroethylene 10394.97
    eugenol 2439.48
    triacetin 3451.85
    span 80 3069.19
    1,4-butanediol 1543.85
    1,1-dichloroethane 15281.14
    2-methyl-1-pentanol 6437.4
    methyl formate 3186.8
    2-methyl-1-butanol 9092.92
    n-decane 868.52
    butyronitrile 13990.06
    3,7-dimethyl-1-octanol 3970.35
    1-chlorooctane 3137.45
    1-chlorotetradecane 917.49
    n-nonane 1024.2
    undecane 535.95
    tert-butylcyclohexane 1726.21
    cyclooctane 1191.92
    cyclopentanol 7460.91
    tetrahydropyran 17147.36
    tert-amyl methyl ether 9053.16
    2,5,8-trioxanonane 4041.32
    1-hexene 12403.16
    2-isopropoxyethanol 4282.41
    2,2,2-trifluoroethanol 1431.88
    methyl butyrate 9873.46

    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