Nonyl hexanoate

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  • Identifiers

    CAS number
    101452-99-7

    Molecular formula
    C15H30O2

    SMILES
    CCCCCCCCCOC(=O)CCCCC

  • Odor profile

    Fragrance
    Fruity 85.4%
    Oily 73.26%
    Winey 65.96%
    Fatty 62.67%
    Green 62.09%
    Cognac 58.18%
    Waxy 55.05%
    Sweet 53.06%
    Floral 52.04%
    Herbal 48.34%

     

    Flavor
    Waxy 72.09%
    Fruity 64.93%
    Sweet 56.63%
    Oily 50.79%
    Soapy 50.26%
    Floral 43.38%
    Fatty 43.07%
    Green 42.28%
    Coconut 39.67%
    Clean 39.54%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    7.15 (neutral)

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    295°C

    Flash point

    • 125.43 ˚C est.

  • Synonyms

    • Nonyl hexanoate
    • Hexanoic acid, nonyl ester
    • 101452-99-7
    • Nonyl hexanoate #
    • hexanoic acid nonyl ester
    • SCHEMBL332821
    • DTXSID80341827
    • UQLYLJOCUOEHOM-UHFFFAOYSA-N
    • Q63395295

  • Applications

    Nonyl hexanoate, CAS 101452-99-7, is an ester used primarily as a fragrance ingredient and odorant in perfumery and consumer products. Typical applications include cosmetics/personal care (as a scent component in skincare and fragrance products), household products (air fresheners, cleaners) to impart fragrance, and the flavor industry as an aroma ingredient with fruity notes (where permitted by regulation). It may also be used as a solvent or carrier within fragrance formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6995.89
    methanol 6481.31
    isopropanol 7456.14
    water 0.08
    ethyl acetate 11377.23
    n-propanol 6551.95
    acetone 15747.3
    n-butanol 6209.86
    acetonitrile 6626.81
    DMF 8527.55
    toluene 3459.72
    isobutanol 5587.4
    1,4-dioxane 8628.08
    methyl acetate 6443.72
    THF 13068.45
    2-butanone 10317.87
    n-pentanol 3784.76
    sec-butanol 6202.49
    n-hexane 2564.96
    ethylene glycol 245.8
    NMP 6995.2
    cyclohexane 4726.71
    DMSO 9657.02
    n-butyl acetate 9063.71
    n-octanol 1732.35
    chloroform 12646.95
    n-propyl acetate 8366.28
    acetic acid 3781.84
    dichloromethane 13883.38
    cyclohexanone 16617.56
    propylene glycol 656.71
    isopropyl acetate 7798.31
    DMAc 6012.66
    2-ethoxyethanol 3666.6
    isopentanol 5983.38
    n-heptane 1080.65
    ethyl formate 4288.76
    1,2-dichloroethane 11559.39
    n-hexanol 3391.51
    2-methoxyethanol 5678.74
    isobutyl acetate 4361.22
    tetrachloromethane 2641.42
    n-pentyl acetate 5698.52
    transcutol 11319.43
    n-heptanol 1623.15
    ethylbenzene 1938.06
    MIBK 5814.68
    2-propoxyethanol 4155.07
    tert-butanol 8179.93
    MTBE 10747.49
    2-butoxyethanol 2900.69
    propionic acid 3730.92
    o-xylene 2008.49
    formic acid 514.74
    diethyl ether 12006.76
    m-xylene 2093.39
    p-xylene 2750.19
    chlorobenzene 4673.93
    dimethyl carbonate 1216.5
    n-octane 383.72
    formamide 1154.74
    cyclopentanone 12436.09
    2-pentanone 11188.26
    anisole 2951.05
    cyclopentyl methyl ether 8745.83
    gamma-butyrolactone 9863.69
    1-methoxy-2-propanol 4875.08
    pyridine 9633.68
    3-pentanone 6313.67
    furfural 6061.3
    n-dodecane 173.51
    diethylene glycol 1570.37
    diisopropyl ether 3361.45
    tert-amyl alcohol 6430.36
    acetylacetone 8012.0
    n-hexadecane 216.8
    acetophenone 2990.49
    methyl propionate 5585.42
    isopentyl acetate 7272.0
    trichloroethylene 15369.27
    n-nonanol 1467.23
    cyclohexanol 7590.74
    benzyl alcohol 2016.9
    2-ethylhexanol 2748.86
    isooctanol 1535.22
    dipropyl ether 5321.05
    1,2-dichlorobenzene 3961.24
    ethyl lactate 1558.87
    propylene carbonate 5292.85
    n-methylformamide 3861.15
    2-pentanol 5145.63
    n-pentane 1627.01
    1-propoxy-2-propanol 4390.13
    1-methoxy-2-propyl acetate 4870.55
    2-(2-methoxypropoxy) propanol 1865.02
    mesitylene 1404.33
    ε-caprolactone 11089.74
    p-cymene 1137.55
    epichlorohydrin 10647.53
    1,1,1-trichloroethane 10725.8
    2-aminoethanol 1095.03
    morpholine-4-carbaldehyde 6046.51
    sulfolane 9404.91
    2,2,4-trimethylpentane 531.49
    2-methyltetrahydrofuran 13427.89
    n-hexyl acetate 5940.95
    isooctane 427.97
    2-(2-butoxyethoxy)ethanol 2965.49
    sec-butyl acetate 5617.72
    tert-butyl acetate 6885.76
    decalin 1090.43
    glycerin 694.54
    diglyme 6423.58
    acrylic acid 1973.08
    isopropyl myristate 1564.3
    n-butyric acid 8657.22
    acetyl acetate 4554.32
    di(2-ethylhexyl) phthalate 1001.67
    ethyl propionate 6273.13
    nitromethane 7944.54
    1,2-diethoxyethane 7155.3
    benzonitrile 3849.73
    trioctyl phosphate 823.13
    1-bromopropane 9375.64
    gamma-valerolactone 12553.59
    n-decanol 906.67
    triethyl phosphate 1442.87
    4-methyl-2-pentanol 2530.37
    propionitrile 5829.14
    vinylene carbonate 4045.42
    1,1,2-trichlorotrifluoroethane 5047.66
    DMS 2622.79
    cumene 1196.03
    2-octanol 1528.42
    2-hexanone 7050.95
    octyl acetate 1862.55
    limonene 2428.69
    1,2-dimethoxyethane 8696.9
    ethyl orthosilicate 1520.31
    tributyl phosphate 1221.12
    diacetone alcohol 4795.82
    N,N-dimethylaniline 1883.55
    acrylonitrile 5039.36
    aniline 3362.61
    1,3-propanediol 2557.19
    bromobenzene 5668.58
    dibromomethane 10666.41
    1,1,2,2-tetrachloroethane 12997.19
    2-methyl-cyclohexyl acetate 2949.56
    tetrabutyl urea 1598.61
    diisobutyl methanol 1630.33
    2-phenylethanol 1992.74
    styrene 2725.66
    dioctyl adipate 2067.06
    dimethyl sulfate 1788.02
    ethyl butyrate 5942.7
    methyl lactate 1410.05
    butyl lactate 2744.0
    diethyl carbonate 2657.62
    propanediol butyl ether 2088.07
    triethyl orthoformate 3108.31
    p-tert-butyltoluene 1044.85
    methyl 4-tert-butylbenzoate 2145.2
    morpholine 12736.23
    tert-butylamine 5549.94
    n-dodecanol 637.21
    dimethoxymethane 5003.21
    ethylene carbonate 4442.42
    cyrene 1428.36
    2-ethoxyethyl acetate 4827.17
    2-ethylhexyl acetate 5510.17
    1,2,4-trichlorobenzene 4077.44
    4-methylpyridine 9035.5
    dibutyl ether 5452.87
    2,6-dimethyl-4-heptanol 1630.33
    DEF 9817.34
    dimethyl isosorbide 3246.51
    tetrachloroethylene 8371.13
    eugenol 1739.07
    triacetin 3265.63
    span 80 2038.37
    1,4-butanediol 867.93
    1,1-dichloroethane 12195.89
    2-methyl-1-pentanol 3379.2
    methyl formate 2163.22
    2-methyl-1-butanol 5050.62
    n-decane 434.82
    butyronitrile 7755.7
    3,7-dimethyl-1-octanol 1861.1
    1-chlorooctane 1935.41
    1-chlorotetradecane 520.47
    n-nonane 481.25
    undecane 249.65
    tert-butylcyclohexane 831.21
    cyclooctane 947.8
    cyclopentanol 6461.24
    tetrahydropyran 17646.18
    tert-amyl methyl ether 6078.89
    2,5,8-trioxanonane 3217.25
    1-hexene 6354.05
    2-isopropoxyethanol 3062.2
    2,2,2-trifluoroethanol 920.52
    methyl butyrate 9362.52

    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