Nonanoic acid, 2-methylbutyl ester

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  • Identifiers

    CAS number
    69205-08-9

    Molecular formula
    C14H28O2

    SMILES
    CCCCCCCCC(=O)OCC(C)CC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 84.17%
    Oily 74.55%
    Winey 65.97%
    Fatty 63.4%
    Cognac 55.39%
    Waxy 49.84%
    Green 48.37%
    Herbal 46.18%
    Fermented 42.34%
    Floral 39.69%

     

    Flavor
    Fruity 69.67%
    Green 58.75%
    Waxy 58.61%
    Oily 48.38%
    Sweet 43.26%
    Floral 40.51%
    Herbal 38.52%
    Soapy 38.16%
    Apple 34.93%
    Tropical 34.52%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    7.81 (neutral)

    Molecular weight
    228.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    270°C

    Flash point

    • 111.66 ˚C est.

  • Synonyms

    • 2-Methylbutyl nonanoate
    • 2-Methylbutyl nonoate
    • 69205-08-9
    • Nonanoic acid, 2-methylbutyl ester
    • EINECS 273-911-6
    • DTXSID60887652
    • RefChem:166458
    • DTXCID701026939
    • 2-Methylbutyl nonan-1-oate
    • SCHEMBL28158620
    • VJMUYXUHYWZMAT-UHFFFAOYSA-N
    • NS00063364
    • 69205-08-9

  • Applications

    Nonanoic acid, 2-methylbutyl ester (CAS 69205-08-9) is commonly used as a fragrance ingredient in perfumery and cosmetics, providing fruity notes to formulations and serving as a fragrance carrier in personal care products. It is also found in household products and cleaners as a fragrance additive and, to some extent, as a mild solvent in formulations. In industrial manufacturing, it can act as a processing aid or solvent in formulated products, and in certain polymers and coatings it may serve as a plasticizer or processing additive to adjust flow and handling. Depending on the formulation, it may appear as a fragrance-bearing component in coatings or inks, within regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9490.89
    methanol 7450.0
    isopropanol 9520.3
    water 0.09
    ethyl acetate 13319.52
    n-propanol 8118.41
    acetone 15723.81
    n-butanol 7703.71
    acetonitrile 8564.46
    DMF 7308.35
    toluene 3737.61
    isobutanol 6613.88
    1,4-dioxane 9351.37
    methyl acetate 7723.49
    THF 12321.08
    2-butanone 11781.08
    n-pentanol 4887.28
    sec-butanol 8307.66
    n-hexane 2349.3
    ethylene glycol 245.99
    NMP 4833.22
    cyclohexane 3605.64
    DMSO 7236.67
    n-butyl acetate 10637.15
    n-octanol 2092.87
    chloroform 13520.26
    n-propyl acetate 8660.33
    acetic acid 3934.82
    dichloromethane 13598.29
    cyclohexanone 15128.88
    propylene glycol 768.8
    isopropyl acetate 8737.26
    DMAc 5301.95
    2-ethoxyethanol 4222.33
    isopentanol 7318.18
    n-heptane 877.86
    ethyl formate 5111.27
    1,2-dichloroethane 10817.95
    n-hexanol 4832.13
    2-methoxyethanol 6225.09
    isobutyl acetate 4715.8
    tetrachloromethane 2453.01
    n-pentyl acetate 5487.22
    transcutol 12540.56
    n-heptanol 2009.62
    ethylbenzene 2222.01
    MIBK 5718.64
    2-propoxyethanol 5061.86
    tert-butanol 10164.13
    MTBE 13297.49
    2-butoxyethanol 3169.76
    propionic acid 3705.45
    o-xylene 2126.34
    formic acid 509.91
    diethyl ether 12870.52
    m-xylene 2240.32
    p-xylene 3099.67
    chlorobenzene 4919.27
    dimethyl carbonate 1061.64
    n-octane 351.57
    formamide 1063.06
    cyclopentanone 10013.05
    2-pentanone 11264.53
    anisole 3351.26
    cyclopentyl methyl ether 7627.46
    gamma-butyrolactone 8002.33
    1-methoxy-2-propanol 5306.85
    pyridine 9769.19
    3-pentanone 5912.18
    furfural 5552.95
    n-dodecane 181.29
    diethylene glycol 1795.27
    diisopropyl ether 3553.79
    tert-amyl alcohol 8185.6
    acetylacetone 7666.72
    n-hexadecane 222.06
    acetophenone 3095.99
    methyl propionate 5675.25
    isopentyl acetate 8714.71
    trichloroethylene 15436.74
    n-nonanol 1683.67
    cyclohexanol 7521.41
    benzyl alcohol 2330.12
    2-ethylhexanol 3437.81
    isooctanol 1853.34
    dipropyl ether 5376.39
    1,2-dichlorobenzene 3949.45
    ethyl lactate 1520.76
    propylene carbonate 4899.13
    n-methylformamide 3340.61
    2-pentanol 6298.86
    n-pentane 1408.72
    1-propoxy-2-propanol 4975.85
    1-methoxy-2-propyl acetate 5054.86
    2-(2-methoxypropoxy) propanol 2182.27
    mesitylene 1386.87
    ε-caprolactone 10667.25
    p-cymene 1225.7
    epichlorohydrin 10239.85
    1,1,1-trichloroethane 10538.33
    2-aminoethanol 1143.47
    morpholine-4-carbaldehyde 5400.57
    sulfolane 6621.18
    2,2,4-trimethylpentane 559.59
    2-methyltetrahydrofuran 12935.81
    n-hexyl acetate 5964.88
    isooctane 464.56
    2-(2-butoxyethoxy)ethanol 3207.28
    sec-butyl acetate 6029.2
    tert-butyl acetate 6993.47
    decalin 1010.61
    glycerin 724.95
    diglyme 6833.98
    acrylic acid 1917.61
    isopropyl myristate 1624.36
    n-butyric acid 9329.72
    acetyl acetate 4931.74
    di(2-ethylhexyl) phthalate 1093.16
    ethyl propionate 6288.66
    nitromethane 7454.88
    1,2-diethoxyethane 7923.42
    benzonitrile 4544.2
    trioctyl phosphate 857.26
    1-bromopropane 8635.69
    gamma-valerolactone 11658.35
    n-decanol 1052.84
    triethyl phosphate 1322.26
    4-methyl-2-pentanol 3025.28
    propionitrile 7007.07
    vinylene carbonate 3859.36
    1,1,2-trichlorotrifluoroethane 4557.13
    DMS 2500.87
    cumene 1325.52
    2-octanol 1833.53
    2-hexanone 7721.8
    octyl acetate 1886.17
    limonene 2442.18
    1,2-dimethoxyethane 9687.56
    ethyl orthosilicate 1410.58
    tributyl phosphate 1231.14
    diacetone alcohol 4705.22
    N,N-dimethylaniline 1948.71
    acrylonitrile 5667.63
    aniline 3499.19
    1,3-propanediol 2805.78
    bromobenzene 5645.06
    dibromomethane 10275.07
    1,1,2,2-tetrachloroethane 12547.77
    2-methyl-cyclohexyl acetate 2939.99
    tetrabutyl urea 1458.17
    diisobutyl methanol 1870.47
    2-phenylethanol 2339.99
    styrene 3023.9
    dioctyl adipate 2032.26
    dimethyl sulfate 1361.69
    ethyl butyrate 6156.88
    methyl lactate 1306.13
    butyl lactate 2659.54
    diethyl carbonate 2716.36
    propanediol butyl ether 2262.3
    triethyl orthoformate 3074.1
    p-tert-butyltoluene 1131.67
    methyl 4-tert-butylbenzoate 2140.11
    morpholine 13761.23
    tert-butylamine 6805.44
    n-dodecanol 732.33
    dimethoxymethane 4608.95
    ethylene carbonate 4167.19
    cyrene 1447.87
    2-ethoxyethyl acetate 4939.39
    2-ethylhexyl acetate 6201.96
    1,2,4-trichlorobenzene 4068.34
    4-methylpyridine 9697.35
    dibutyl ether 5312.21
    2,6-dimethyl-4-heptanol 1870.47
    DEF 8892.17
    dimethyl isosorbide 3232.62
    tetrachloroethylene 7575.58
    eugenol 1893.34
    triacetin 2997.34
    span 80 2245.83
    1,4-butanediol 1036.69
    1,1-dichloroethane 12847.84
    2-methyl-1-pentanol 4399.84
    methyl formate 2001.67
    2-methyl-1-butanol 6184.77
    n-decane 419.23
    butyronitrile 9680.0
    3,7-dimethyl-1-octanol 2276.27
    1-chlorooctane 1874.6
    1-chlorotetradecane 532.12
    n-nonane 461.89
    undecane 254.75
    tert-butylcyclohexane 839.42
    cyclooctane 754.09
    cyclopentanol 5792.79
    tetrahydropyran 17487.26
    tert-amyl methyl ether 6802.75
    2,5,8-trioxanonane 3476.15
    1-hexene 7109.43
    2-isopropoxyethanol 3524.16
    2,2,2-trifluoroethanol 806.32
    methyl butyrate 9848.2

    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