Nonyl heptanoate

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  • Identifiers

    CAS number
    98841-69-1

    Molecular formula
    C16H32O2

    SMILES
    CCCCCCCCCOC(=O)CCCCCC

  • Odor profile

    Fragrance
    Fruity 78.08%
    Oily 74.89%
    Fatty 64.55%
    Winey 62.42%
    Cognac 56.4%
    Floral 55.67%
    Waxy 55.31%
    Green 48.78%
    Sweet 47.77%
    Rose 44.64%

     

    Flavor
    Waxy 72.43%
    Fruity 57.15%
    Sweet 53.0%
    Oily 52.55%
    Soapy 50.97%
    Fatty 46.87%
    Floral 42.13%
    Coconut 41.44%
    Creamy 38.71%
    Clean 38.28%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.5

    pKa est.
    7.09 (neutral)

    Molecular weight
    256.42 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    310°C

    Flash point

    • 135.76 ˚C est.

  • Synonyms

    • NONYL HEPTANOATE
    • 98841-69-1
    • heptanoic acid nonyl ester
    • SCHEMBL245782
    • DTXSID80701164

  • Applications

    Nonyl heptanoate (CAS 98841-69-1) is primarily used in the fragrance and flavor sectors as an aroma ingredient and a fixative. In perfumery it contributes fruity notes and helps stabilize the scent profile; in cosmetics and personal care it commonly serves as a fragrance component. It is also evaluated for use in household products such as air fresheners and laundry formulations to impart a fragrance. As a higher-molecular-weight ester, it may act as a solvent or carrier in specialized formulations and can appear as an intermediate in fragrance synthesis. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4080.75
    methanol 3585.92
    isopropanol 4760.75
    water 0.05
    ethyl acetate 10611.01
    n-propanol 4385.4
    acetone 13031.82
    n-butanol 4532.87
    acetonitrile 4890.17
    DMF 9604.77
    toluene 3707.35
    isobutanol 4013.52
    1,4-dioxane 7289.17
    methyl acetate 5900.55
    THF 12335.79
    2-butanone 10204.11
    n-pentanol 2906.61
    sec-butanol 4612.5
    n-hexane 2261.84
    ethylene glycol 157.11
    NMP 9015.42
    cyclohexane 4160.01
    DMSO 10109.3
    n-butyl acetate 8456.99
    n-octanol 1543.39
    chloroform 12395.99
    n-propyl acetate 8493.1
    acetic acid 2847.1
    dichloromethane 13694.0
    cyclohexanone 18441.81
    propylene glycol 470.35
    isopropyl acetate 7424.33
    DMAc 7318.16
    2-ethoxyethanol 3247.52
    isopentanol 4710.12
    n-heptane 973.55
    ethyl formate 3782.37
    1,2-dichloroethane 12235.08
    n-hexanol 2582.93
    2-methoxyethanol 4750.83
    isobutyl acetate 4510.28
    tetrachloromethane 2848.98
    n-pentyl acetate 6197.26
    transcutol 11712.89
    n-heptanol 1440.56
    ethylbenzene 2117.32
    MIBK 6195.31
    2-propoxyethanol 3708.32
    tert-butanol 6050.97
    MTBE 9906.23
    2-butoxyethanol 2811.63
    propionic acid 3201.32
    o-xylene 2313.5
    formic acid 398.99
    diethyl ether 10300.86
    m-xylene 2310.67
    p-xylene 3065.72
    chlorobenzene 5177.51
    dimethyl carbonate 1413.18
    n-octane 334.75
    formamide 1039.88
    cyclopentanone 13989.96
    2-pentanone 10947.32
    anisole 3357.54
    cyclopentyl methyl ether 9430.17
    gamma-butyrolactone 10849.73
    1-methoxy-2-propanol 4466.69
    pyridine 9522.14
    3-pentanone 6920.04
    furfural 7014.84
    n-dodecane 145.88
    diethylene glycol 1346.53
    diisopropyl ether 3244.19
    tert-amyl alcohol 5518.8
    acetylacetone 8112.95
    n-hexadecane 188.11
    acetophenone 3463.66
    methyl propionate 5929.17
    isopentyl acetate 7253.78
    trichloroethylene 17416.72
    n-nonanol 1330.25
    cyclohexanol 6767.35
    benzyl alcohol 2005.99
    2-ethylhexanol 2460.59
    isooctanol 1446.86
    dipropyl ether 5195.67
    1,2-dichlorobenzene 4784.42
    ethyl lactate 1634.62
    propylene carbonate 5626.64
    n-methylformamide 3672.48
    2-pentanol 4140.89
    n-pentane 1331.38
    1-propoxy-2-propanol 4023.01
    1-methoxy-2-propyl acetate 5108.43
    2-(2-methoxypropoxy) propanol 1974.25
    mesitylene 1582.89
    ε-caprolactone 11652.02
    p-cymene 1231.58
    epichlorohydrin 11420.24
    1,1,1-trichloroethane 11797.79
    2-aminoethanol 801.49
    morpholine-4-carbaldehyde 6752.97
    sulfolane 11850.2
    2,2,4-trimethylpentane 559.78
    2-methyltetrahydrofuran 13264.05
    n-hexyl acetate 6245.82
    isooctane 408.15
    2-(2-butoxyethoxy)ethanol 3062.55
    sec-butyl acetate 5851.48
    tert-butyl acetate 7436.95
    decalin 1139.32
    glycerin 545.41
    diglyme 6912.64
    acrylic acid 1771.95
    isopropyl myristate 1646.86
    n-butyric acid 7561.21
    acetyl acetate 4272.36
    di(2-ethylhexyl) phthalate 1056.15
    ethyl propionate 6924.92
    nitromethane 7134.1
    1,2-diethoxyethane 7245.9
    benzonitrile 4064.53
    trioctyl phosphate 857.67
    1-bromopropane 8930.24
    gamma-valerolactone 13871.35
    n-decanol 813.82
    triethyl phosphate 1616.77
    4-methyl-2-pentanol 2153.32
    propionitrile 4947.77
    vinylene carbonate 4377.28
    1,1,2-trichlorotrifluoroethane 5729.37
    DMS 2991.1
    cumene 1298.1
    2-octanol 1389.97
    2-hexanone 7235.6
    octyl acetate 1957.64
    limonene 2599.86
    1,2-dimethoxyethane 8213.74
    ethyl orthosilicate 1704.38
    tributyl phosphate 1327.41
    diacetone alcohol 5130.37
    N,N-dimethylaniline 2213.2
    acrylonitrile 4545.62
    aniline 3495.39
    1,3-propanediol 1873.3
    bromobenzene 6418.64
    dibromomethane 10298.32
    1,1,2,2-tetrachloroethane 15256.03
    2-methyl-cyclohexyl acetate 3286.24
    tetrabutyl urea 1811.95
    diisobutyl methanol 1511.87
    2-phenylethanol 1990.95
    styrene 2996.36
    dioctyl adipate 2308.23
    dimethyl sulfate 2314.85
    ethyl butyrate 6094.63
    methyl lactate 1482.26
    butyl lactate 2986.69
    diethyl carbonate 2832.43
    propanediol butyl ether 2085.49
    triethyl orthoformate 3406.63
    p-tert-butyltoluene 1130.8
    methyl 4-tert-butylbenzoate 2508.47
    morpholine 11511.7
    tert-butylamine 4203.09
    n-dodecanol 576.58
    dimethoxymethane 4900.61
    ethylene carbonate 4594.18
    cyrene 1565.08
    2-ethoxyethyl acetate 5358.62
    2-ethylhexyl acetate 5787.57
    1,2,4-trichlorobenzene 4970.14
    4-methylpyridine 9881.35
    dibutyl ether 5554.11
    2,6-dimethyl-4-heptanol 1511.87
    DEF 11173.48
    dimethyl isosorbide 3766.37
    tetrachloroethylene 9538.89
    eugenol 1943.71
    triacetin 3758.64
    span 80 2093.67
    1,4-butanediol 659.01
    1,1-dichloroethane 12029.35
    2-methyl-1-pentanol 2882.31
    methyl formate 2075.11
    2-methyl-1-butanol 4229.92
    n-decane 371.89
    butyronitrile 6454.39
    3,7-dimethyl-1-octanol 1788.01
    1-chlorooctane 1951.64
    1-chlorotetradecane 512.35
    n-nonane 414.64
    undecane 212.53
    tert-butylcyclohexane 840.29
    cyclooctane 935.94
    cyclopentanol 5803.4
    tetrahydropyran 15723.82
    tert-amyl methyl ether 6484.01
    2,5,8-trioxanonane 3323.3
    1-hexene 5357.37
    2-isopropoxyethanol 2889.11
    2,2,2-trifluoroethanol 850.27
    methyl butyrate 9902.2

    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