Methyl 2-methylnonanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    56898-37-4

    Molecular formula
    C11H22O2

    SMILES
    CCCCCCCC(C)C(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 82.19%
    Fatty 68.37%
    Waxy 65.77%
    Green 64.07%
    Oily 61.03%
    Herbal 51.55%
    Sweet 49.89%
    Floral 49.6%
    Winey 47.62%
    Citrus 37.5%

     

    Flavor
    Fruity 69.12%
    Waxy 64.81%
    Green 53.41%
    Floral 50.14%
    Oily 48.69%
    Sweet 42.45%
    Soapy 39.0%
    Tropical 36.32%
    Apple 31.91%
    Clean 31.05%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.2

    pKa est.
    8.32 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    220°C

    Flash point

    • 83.8 ˚C est.

  • Synonyms

    • Methyl 2-methylnonanoate
    • 56898-37-4
    • 2-Methylnonanoic acid, methyl ester
    • DTXSID80335908
    • Nonanoic acid, 2-methyl, methyl ester
    • RefChem:354415
    • DTXCID90286997
    • WYNTWOMMHWJBMR-UHFFFAOYSA-N
    • methyl a-methylpelargonate
    • Methyl 2-methylnonanoate #
    • SCHEMBL3679454
    • 2-methyl-nonanoic acid methyl ester
    • 56898-37-4

  • Applications

    Methyl 2-methylnonanoate is primarily used as a fragrance ingredient in perfumery and cosmetics, contributing fruity/green notes; it may also serve as a flavor/aroma intermediate in the food/flavor sector. In industrial manufacturing it is employed as an intermediate for synthesizing more complex aroma chemicals. It can function as a solvent or processing aid in coatings, inks, and cleaning formulations. The ester is sometimes used in household products as an odorant component, and can be used as a building block in formulation work for specialty fragrances.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15552.16
    methanol 16993.13
    isopropanol 14921.78
    water 0.26
    ethyl acetate 18055.01
    n-propanol 12793.45
    acetone 22992.91
    n-butanol 11189.66
    acetonitrile 18114.16
    DMF 11812.23
    toluene 4257.58
    isobutanol 10030.16
    1,4-dioxane 14478.93
    methyl acetate 11310.21
    THF 14559.68
    2-butanone 15536.05
    n-pentanol 7401.35
    sec-butanol 12025.89
    n-hexane 2255.65
    ethylene glycol 634.12
    NMP 6279.62
    cyclohexane 3015.97
    DMSO 9746.73
    n-butyl acetate 12529.43
    n-octanol 2274.89
    chloroform 18506.08
    n-propyl acetate 11019.36
    acetic acid 7274.99
    dichloromethane 18085.71
    cyclohexanone 17114.89
    propylene glycol 1455.18
    isopropyl acetate 10260.48
    DMAc 6049.78
    2-ethoxyethanol 7341.25
    isopentanol 10734.67
    n-heptane 722.8
    ethyl formate 8262.75
    1,2-dichloroethane 14037.17
    n-hexanol 6178.44
    2-methoxyethanol 11521.24
    isobutyl acetate 5253.0
    tetrachloromethane 3819.91
    n-pentyl acetate 5890.04
    transcutol 17577.57
    n-heptanol 2401.7
    ethylbenzene 2374.01
    MIBK 6458.3
    2-propoxyethanol 7732.96
    tert-butanol 17483.6
    MTBE 19709.38
    2-butoxyethanol 4189.08
    propionic acid 6427.3
    o-xylene 2227.2
    formic acid 1325.8
    diethyl ether 19289.62
    m-xylene 2522.57
    p-xylene 2956.03
    chlorobenzene 5830.31
    dimethyl carbonate 1538.71
    n-octane 309.07
    formamide 2836.65
    cyclopentanone 13096.27
    2-pentanone 13784.81
    anisole 4061.91
    cyclopentyl methyl ether 10078.7
    gamma-butyrolactone 11867.81
    1-methoxy-2-propanol 8074.31
    pyridine 11718.14
    3-pentanone 8009.19
    furfural 7620.27
    n-dodecane 159.67
    diethylene glycol 3043.45
    diisopropyl ether 4490.4
    tert-amyl alcohol 13078.6
    acetylacetone 9220.41
    n-hexadecane 198.62
    acetophenone 3241.44
    methyl propionate 8449.82
    isopentyl acetate 9227.63
    trichloroethylene 20232.02
    n-nonanol 1831.04
    cyclohexanol 9622.89
    benzyl alcohol 2896.43
    2-ethylhexanol 3881.21
    isooctanol 2183.95
    dipropyl ether 5708.44
    1,2-dichlorobenzene 4431.88
    ethyl lactate 1807.97
    propylene carbonate 5881.77
    n-methylformamide 7566.23
    2-pentanol 8672.37
    n-pentane 1531.85
    1-propoxy-2-propanol 6643.41
    1-methoxy-2-propyl acetate 6300.27
    2-(2-methoxypropoxy) propanol 2348.65
    mesitylene 1582.75
    ε-caprolactone 12403.96
    p-cymene 1196.28
    epichlorohydrin 14378.25
    1,1,1-trichloroethane 14503.28
    2-aminoethanol 2711.79
    morpholine-4-carbaldehyde 7118.61
    sulfolane 9062.46
    2,2,4-trimethylpentane 646.47
    2-methyltetrahydrofuran 16152.91
    n-hexyl acetate 5780.57
    isooctane 535.32
    2-(2-butoxyethoxy)ethanol 3867.71
    sec-butyl acetate 6776.97
    tert-butyl acetate 8855.12
    decalin 924.28
    glycerin 1321.44
    diglyme 7877.74
    acrylic acid 3599.77
    isopropyl myristate 1525.14
    n-butyric acid 13108.36
    acetyl acetate 5994.99
    di(2-ethylhexyl) phthalate 1056.47
    ethyl propionate 7597.74
    nitromethane 14323.24
    1,2-diethoxyethane 10234.31
    benzonitrile 5661.91
    trioctyl phosphate 853.38
    1-bromopropane 10647.92
    gamma-valerolactone 14466.97
    n-decanol 1141.7
    triethyl phosphate 1296.0
    4-methyl-2-pentanol 3900.48
    propionitrile 12701.34
    vinylene carbonate 5194.64
    1,1,2-trichlorotrifluoroethane 6961.34
    DMS 2699.76
    cumene 1365.32
    2-octanol 2083.75
    2-hexanone 9128.58
    octyl acetate 1879.46
    limonene 2250.96
    1,2-dimethoxyethane 13962.0
    ethyl orthosilicate 1446.8
    tributyl phosphate 1257.53
    diacetone alcohol 6358.25
    N,N-dimethylaniline 2104.62
    acrylonitrile 11078.08
    aniline 5198.83
    1,3-propanediol 5047.22
    bromobenzene 6378.07
    dibromomethane 13134.31
    1,1,2,2-tetrachloroethane 16052.85
    2-methyl-cyclohexyl acetate 2841.0
    tetrabutyl urea 1452.26
    diisobutyl methanol 1951.76
    2-phenylethanol 2784.36
    styrene 3306.23
    dioctyl adipate 1833.96
    dimethyl sulfate 1936.49
    ethyl butyrate 6332.7
    methyl lactate 1829.03
    butyl lactate 2937.92
    diethyl carbonate 2945.35
    propanediol butyl ether 2912.13
    triethyl orthoformate 3185.79
    p-tert-butyltoluene 1126.69
    methyl 4-tert-butylbenzoate 2087.25
    morpholine 19902.19
    tert-butylamine 11325.58
    n-dodecanol 772.7
    dimethoxymethane 6972.56
    ethylene carbonate 5263.44
    cyrene 1643.86
    2-ethoxyethyl acetate 5953.91
    2-ethylhexyl acetate 6363.71
    1,2,4-trichlorobenzene 4528.6
    4-methylpyridine 12566.09
    dibutyl ether 5116.66
    2,6-dimethyl-4-heptanol 1951.76
    DEF 12505.72
    dimethyl isosorbide 3679.2
    tetrachloroethylene 10673.45
    eugenol 2022.18
    triacetin 2881.55
    span 80 2317.29
    1,4-butanediol 1832.87
    1,1-dichloroethane 18003.75
    2-methyl-1-pentanol 6542.23
    methyl formate 4331.51
    2-methyl-1-butanol 9090.84
    n-decane 371.54
    butyronitrile 15273.74
    3,7-dimethyl-1-octanol 2499.35
    1-chlorooctane 1884.85
    1-chlorotetradecane 513.13
    n-nonane 413.0
    undecane 227.77
    tert-butylcyclohexane 877.3
    cyclooctane 674.96
    cyclopentanol 8007.75
    tetrahydropyran 21478.81
    tert-amyl methyl ether 9747.41
    2,5,8-trioxanonane 3695.22
    1-hexene 7861.84
    2-isopropoxyethanol 5437.64
    2,2,2-trifluoroethanol 1598.82
    methyl butyrate 11744.75

    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