Methyl 7-Methylnonanoate

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  • Identifiers

    CAS number
    5129-63-5

    Molecular formula
    C11H22O2

    SMILES
    CCC(C)CCCCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 73.44%
    Waxy 65.48%
    Floral 63.44%
    Fatty 60.42%
    Sweet 59.16%
    Oily 55.58%
    Rose 50.14%
    Winey 48.04%
    Green 47.26%
    Herbal 37.63%

     

    Flavor
    Waxy 66.14%
    Fruity 50.27%
    Oily 49.74%
    Floral 47.4%
    Soapy 44.35%
    Sweet 41.05%
    Green 38.14%
    Fatty 34.01%
    Clean 33.12%
    Creamy 31.87%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.9

    pKa est.
    8.74 (weak base)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    221°C

    Flash point

    • 83.37 ˚C est.

  • Synonyms

    • Methyl 7-Methylnonanoate
    • Nonanoic acid, 7-methyl-, methyl ester
    • 5129-63-5
    • DTXSID20334617
    • 5129-63-5

  • Applications

    Methyl 7-Methylnonanoate (CAS 5129-63-5) is used as a fragrance ingredient and odorant in perfumery and fragrance applications; it may also be evaluated as a flavor/aroma chemical for food-related uses. In cosmetics and personal care, it can serve as a fragrance component or solvent in formulations. In coatings, inks, and adhesives, the ester may function as a processing solvent or processing aid. It is also considered as an intermediate in organic synthesis and as a processing aid in polymer and plastics formulations. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8652.91
    methanol 7525.04
    isopropanol 8020.93
    water 0.11
    ethyl acetate 7405.26
    n-propanol 6333.53
    acetone 9063.05
    n-butanol 4880.89
    acetonitrile 5888.57
    DMF 3892.44
    toluene 1435.76
    isobutanol 4187.06
    1,4-dioxane 7972.3
    methyl acetate 4472.27
    THF 8378.61
    2-butanone 6321.01
    n-pentanol 3334.29
    sec-butanol 5261.16
    n-hexane 548.27
    ethylene glycol 359.01
    NMP 1996.47
    cyclohexane 777.77
    DMSO 4691.12
    n-butyl acetate 3770.24
    n-octanol 779.35
    chloroform 6877.78
    n-propyl acetate 3747.52
    acetic acid 2890.29
    dichloromethane 6218.4
    cyclohexanone 6501.25
    propylene glycol 1044.66
    isopropyl acetate 3890.94
    DMAc 2236.06
    2-ethoxyethanol 3788.64
    isopentanol 4162.8
    n-heptane 169.21
    ethyl formate 2745.6
    1,2-dichloroethane 4707.54
    n-hexanol 2676.45
    2-methoxyethanol 6008.08
    isobutyl acetate 1848.93
    tetrachloromethane 975.22
    n-pentyl acetate 1672.69
    transcutol 8871.5
    n-heptanol 815.66
    ethylbenzene 701.39
    MIBK 2463.11
    2-propoxyethanol 3577.0
    tert-butanol 8423.68
    MTBE 7401.96
    2-butoxyethanol 1646.39
    propionic acid 2563.6
    o-xylene 749.46
    formic acid 485.97
    diethyl ether 7770.35
    m-xylene 907.64
    p-xylene 882.35
    chlorobenzene 1792.23
    dimethyl carbonate 462.61
    n-octane 69.54
    formamide 948.79
    cyclopentanone 4871.84
    2-pentanone 5253.92
    anisole 1532.4
    cyclopentyl methyl ether 3996.85
    gamma-butyrolactone 4362.67
    1-methoxy-2-propanol 4431.4
    pyridine 4674.48
    3-pentanone 2600.18
    furfural 2877.08
    n-dodecane 43.16
    diethylene glycol 1620.53
    diisopropyl ether 1459.49
    tert-amyl alcohol 5390.41
    acetylacetone 3637.51
    n-hexadecane 52.25
    acetophenone 1128.23
    methyl propionate 2938.97
    isopentyl acetate 2955.9
    trichloroethylene 6583.5
    n-nonanol 636.66
    cyclohexanol 3856.3
    benzyl alcohol 1269.94
    2-ethylhexanol 1376.76
    isooctanol 709.26
    dipropyl ether 2088.9
    1,2-dichlorobenzene 1360.87
    ethyl lactate 767.26
    propylene carbonate 2067.84
    n-methylformamide 2292.07
    2-pentanol 3444.7
    n-pentane 347.96
    1-propoxy-2-propanol 2906.53
    1-methoxy-2-propyl acetate 2671.54
    2-(2-methoxypropoxy) propanol 1169.59
    mesitylene 532.23
    ε-caprolactone 4759.29
    p-cymene 360.33
    epichlorohydrin 6123.43
    1,1,1-trichloroethane 4560.09
    2-aminoethanol 1607.81
    morpholine-4-carbaldehyde 3220.82
    sulfolane 3427.51
    2,2,4-trimethylpentane 163.58
    2-methyltetrahydrofuran 7450.59
    n-hexyl acetate 1951.26
    isooctane 146.4
    2-(2-butoxyethoxy)ethanol 1951.07
    sec-butyl acetate 2347.71
    tert-butyl acetate 3421.81
    decalin 264.02
    glycerin 887.85
    diglyme 3759.09
    acrylic acid 1286.25
    isopropyl myristate 548.57
    n-butyric acid 5088.95
    acetyl acetate 2167.35
    di(2-ethylhexyl) phthalate 424.65
    ethyl propionate 2574.83
    nitromethane 4673.51
    1,2-diethoxyethane 3926.42
    benzonitrile 1772.88
    trioctyl phosphate 312.92
    1-bromopropane 3645.92
    gamma-valerolactone 6373.88
    n-decanol 415.47
    triethyl phosphate 493.86
    4-methyl-2-pentanol 1435.9
    propionitrile 4082.66
    vinylene carbonate 1702.05
    1,1,2-trichlorotrifluoroethane 2766.7
    DMS 973.88
    cumene 442.84
    2-octanol 651.59
    2-hexanone 3425.41
    octyl acetate 657.23
    limonene 706.38
    1,2-dimethoxyethane 6180.99
    ethyl orthosilicate 543.9
    tributyl phosphate 451.34
    diacetone alcohol 2820.32
    N,N-dimethylaniline 749.5
    acrylonitrile 3439.17
    aniline 2045.3
    1,3-propanediol 2803.12
    bromobenzene 1862.13
    dibromomethane 4582.17
    1,1,2,2-tetrachloroethane 5373.59
    2-methyl-cyclohexyl acetate 1095.07
    tetrabutyl urea 497.98
    diisobutyl methanol 698.04
    2-phenylethanol 1196.58
    styrene 1009.6
    dioctyl adipate 760.06
    dimethyl sulfate 633.62
    ethyl butyrate 2174.92
    methyl lactate 811.36
    butyl lactate 994.98
    diethyl carbonate 1051.36
    propanediol butyl ether 1275.23
    triethyl orthoformate 1140.66
    p-tert-butyltoluene 361.17
    methyl 4-tert-butylbenzoate 825.21
    morpholine 11397.55
    tert-butylamine 4848.27
    n-dodecanol 291.9
    dimethoxymethane 2671.5
    ethylene carbonate 1703.3
    cyrene 810.65
    2-ethoxyethyl acetate 2109.78
    2-ethylhexyl acetate 1986.11
    1,2,4-trichlorobenzene 1494.88
    4-methylpyridine 4561.23
    dibutyl ether 1735.39
    2,6-dimethyl-4-heptanol 698.04
    DEF 4105.75
    dimethyl isosorbide 1749.73
    tetrachloroethylene 3332.4
    eugenol 807.96
    triacetin 1201.11
    span 80 1115.99
    1,4-butanediol 917.59
    1,1-dichloroethane 5978.35
    2-methyl-1-pentanol 2536.9
    methyl formate 1217.21
    2-methyl-1-butanol 3456.01
    n-decane 96.31
    butyronitrile 4763.49
    3,7-dimethyl-1-octanol 885.94
    1-chlorooctane 551.61
    1-chlorotetradecane 155.89
    n-nonane 99.72
    undecane 61.44
    tert-butylcyclohexane 251.51
    cyclooctane 157.14
    cyclopentanol 3445.75
    tetrahydropyran 10805.94
    tert-amyl methyl ether 3471.93
    2,5,8-trioxanonane 1949.01
    1-hexene 2603.62
    2-isopropoxyethanol 2643.13
    2,2,2-trifluoroethanol 482.88
    methyl butyrate 3835.31

    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