Isoamyl nonanoate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    7779-70-6

    Molecular formula
    C14H28O2

    SMILES
    CCCCCCCCC(=O)OCCC(C)C

  • Odor profile

    Fragrance
    Fruity 86.16%
    Oily 75.35%
    Winey 72.05%
    Cognac 60.02%
    Fatty 59.43%
    Green 58.73%
    Waxy 52.3%
    Herbal 49.05%
    Floral 47.1%
    Sweet 46.82%

     

    Flavor
    Fruity 68.38%
    Waxy 59.02%
    Oily 53.36%
    Green 50.78%
    Sweet 44.17%
    Floral 43.26%
    Soapy 42.98%
    Tropical 37.01%
    Wine 35.89%
    Clean 32.71%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    7.56 (neutral)

    Molecular weight
    228.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 260.00 to 261.00 °C. @ 760.00 mm Hg

    Flash point

    • 110.69 ˚C est.

    Solubility expt.

    • Soluble in ethanol, insoluble in water

  • Synonyms

    • Isoamyl nonanoate
    • 3-Methylbutyl nonanoate
    • Isoamyl nonoate
    • 7779-70-6
    • Isoamyl pelargonate
    • Isopentyl nonanoate
    • Isoamyl nonylate
    • Nonanoic acid, 3-methylbutyl ester
    • Isopentyl nonylate
    • Isopentyl pelargonate
    • 3-Methylbutyl pelargonate
    • Nonanoic acid, isopentyl ester
    • FEMA No. 2078
    • UNII-IY73YYK1JQ
    • IY73YYK1JQ
    • EINECS 231-933-3
    • DTXSID8064804
    • ISOAMYL NONANOATE [FHFI]
    • ISOPENTYL ALCOHOL, NONANOATE
    • Nonanoic acid,3-methylbutyl ester
    • Isopentyl nonanoate #
    • Pelargonsaureisoamylester
    • Isoamyl nonanoate, >=96%
    • SCHEMBL1171845
    • DTXCID5048003
    • CHEBI:179780
    • Nonanoic acid 3-methylbutyl ester
    • LMFA07010761
    • WE(4:0(3Me)/9:0)
    • DB-244679
    • NS00020349
    • Q27280950

  • Applications

    Isoamyl nonanoate is primarily used as a fragrance ingredient in perfumery, contributing fruity notes and serving as a key component in fragrance formulations; in cosmetics and personal care, it functions as an odorant within scented products such as lotions and shampoos; in household products, it provides a pleasant aroma in air fresheners, cleaners, and related formulations; it may be used as an aroma compound in flavor formulations, contributing character and fruit-like notes to certain foods and beverages; and in industrial formulation contexts it may serve as a solvent/vehicle for fragrance blends in some applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9933.28
    methanol 8371.85
    isopropanol 10164.82
    water 0.11
    ethyl acetate 11248.49
    n-propanol 8044.47
    acetone 16728.36
    n-butanol 7523.26
    acetonitrile 7162.25
    DMF 7120.27
    toluene 3039.8
    isobutanol 6559.05
    1,4-dioxane 9267.32
    methyl acetate 6392.21
    THF 14659.86
    2-butanone 10605.54
    n-pentanol 4652.99
    sec-butanol 7758.23
    n-hexane 2586.92
    ethylene glycol 316.93
    NMP 5608.84
    cyclohexane 3981.23
    DMSO 8209.85
    n-butyl acetate 8645.06
    n-octanol 1951.76
    chloroform 12959.48
    n-propyl acetate 7227.69
    acetic acid 4711.4
    dichloromethane 12783.94
    cyclohexanone 15867.74
    propylene glycol 974.88
    isopropyl acetate 7535.01
    DMAc 4717.02
    2-ethoxyethanol 3946.54
    isopentanol 7012.8
    n-heptane 929.89
    ethyl formate 4416.73
    1,2-dichloroethane 9948.09
    n-hexanol 4409.51
    2-methoxyethanol 6311.67
    isobutyl acetate 3814.68
    tetrachloromethane 2227.71
    n-pentyl acetate 4610.08
    transcutol 12530.5
    n-heptanol 1799.54
    ethylbenzene 1779.05
    MIBK 5410.23
    2-propoxyethanol 4699.0
    tert-butanol 9859.92
    MTBE 10901.44
    2-butoxyethanol 2884.39
    propionic acid 4120.98
    o-xylene 1784.83
    formic acid 625.71
    diethyl ether 11530.76
    m-xylene 1938.61
    p-xylene 2538.6
    chlorobenzene 4410.29
    dimethyl carbonate 995.65
    n-octane 331.61
    formamide 1230.46
    cyclopentanone 10740.89
    2-pentanone 10751.93
    anisole 2746.4
    cyclopentyl methyl ether 8241.23
    gamma-butyrolactone 8939.6
    1-methoxy-2-propanol 5413.43
    pyridine 8698.1
    3-pentanone 5543.12
    furfural 5528.0
    n-dodecane 165.55
    diethylene glycol 1866.29
    diisopropyl ether 3328.39
    tert-amyl alcohol 7692.42
    acetylacetone 7393.87
    n-hexadecane 203.77
    acetophenone 2587.05
    methyl propionate 5134.17
    isopentyl acetate 7172.83
    trichloroethylene 14810.66
    n-nonanol 1600.5
    cyclohexanol 8058.57
    benzyl alcohol 2069.6
    2-ethylhexanol 3029.49
    isooctanol 1588.36
    dipropyl ether 4878.18
    1,2-dichlorobenzene 3566.44
    ethyl lactate 1472.57
    propylene carbonate 5171.82
    n-methylformamide 3294.76
    2-pentanol 6087.44
    n-pentane 1500.78
    1-propoxy-2-propanol 4678.8
    1-methoxy-2-propyl acetate 4739.93
    2-(2-methoxypropoxy) propanol 2082.79
    mesitylene 1241.65
    ε-caprolactone 10483.97
    p-cymene 1080.75
    epichlorohydrin 10247.86
    1,1,1-trichloroethane 9779.51
    2-aminoethanol 1404.11
    morpholine-4-carbaldehyde 5534.45
    sulfolane 8061.61
    2,2,4-trimethylpentane 562.14
    2-methyltetrahydrofuran 14165.74
    n-hexyl acetate 5569.01
    isooctane 455.08
    2-(2-butoxyethoxy)ethanol 3224.13
    sec-butyl acetate 4964.01
    tert-butyl acetate 6487.42
    decalin 1017.25
    glycerin 862.29
    diglyme 6359.09
    acrylic acid 2127.27
    isopropyl myristate 1528.71
    n-butyric acid 9356.57
    acetyl acetate 4608.72
    di(2-ethylhexyl) phthalate 1047.08
    ethyl propionate 5282.77
    nitromethane 7731.16
    1,2-diethoxyethane 6667.94
    benzonitrile 3758.92
    trioctyl phosphate 813.7
    1-bromopropane 8087.77
    gamma-valerolactone 12161.66
    n-decanol 1013.24
    triethyl phosphate 1197.19
    4-methyl-2-pentanol 2961.79
    propionitrile 5514.48
    vinylene carbonate 3830.47
    1,1,2-trichlorotrifluoroethane 4813.01
    DMS 2319.93
    cumene 1083.04
    2-octanol 1603.9
    2-hexanone 7167.52
    octyl acetate 1811.41
    limonene 2292.18
    1,2-dimethoxyethane 8519.01
    ethyl orthosilicate 1288.76
    tributyl phosphate 1197.23
    diacetone alcohol 4831.83
    N,N-dimethylaniline 1634.79
    acrylonitrile 4661.73
    aniline 3376.57
    1,3-propanediol 3125.2
    bromobenzene 4973.01
    dibromomethane 9839.0
    1,1,2,2-tetrachloroethane 12240.5
    2-methyl-cyclohexyl acetate 2741.14
    tetrabutyl urea 1437.53
    diisobutyl methanol 1692.84
    2-phenylethanol 2139.31
    styrene 2384.77
    dioctyl adipate 1990.2
    dimethyl sulfate 1369.37
    ethyl butyrate 5258.62
    methyl lactate 1377.01
    butyl lactate 2460.1
    diethyl carbonate 2286.76
    propanediol butyl ether 2319.97
    triethyl orthoformate 2714.41
    p-tert-butyltoluene 1010.07
    methyl 4-tert-butylbenzoate 1945.26
    morpholine 13888.57
    tert-butylamine 6751.7
    n-dodecanol 712.55
    dimethoxymethane 4571.21
    ethylene carbonate 4183.12
    cyrene 1460.69
    2-ethoxyethyl acetate 4304.88
    2-ethylhexyl acetate 5154.01
    1,2,4-trichlorobenzene 3811.48
    4-methylpyridine 8318.45
    dibutyl ether 4865.39
    2,6-dimethyl-4-heptanol 1692.84
    DEF 8181.01
    dimethyl isosorbide 3274.71
    tetrachloroethylene 7516.27
    eugenol 1694.7
    triacetin 3057.66
    span 80 2306.39
    1,4-butanediol 1055.45
    1,1-dichloroethane 11687.36
    2-methyl-1-pentanol 4024.39
    methyl formate 1957.49
    2-methyl-1-butanol 5788.88
    n-decane 383.97
    butyronitrile 8509.97
    3,7-dimethyl-1-octanol 2082.28
    1-chlorooctane 1795.93
    1-chlorotetradecane 514.39
    n-nonane 434.16
    undecane 235.36
    tert-butylcyclohexane 825.16
    cyclooctane 818.08
    cyclopentanol 6726.89
    tetrahydropyran 17906.34
    tert-amyl methyl ether 5758.27
    2,5,8-trioxanonane 3257.27
    1-hexene 6894.18
    2-isopropoxyethanol 3135.54
    2,2,2-trifluoroethanol 965.22
    methyl butyrate 8008.53

    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