Hexyl nonanoate

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  • Identifiers

    CAS number
    6561-39-3

    Molecular formula
    C15H30O2

    SMILES
    CCCCCCCCC(=O)OCCCCCC

  • Odor profile

    Fragrance
    Fruity 85.64%
    Oily 73.52%
    Green 67.95%
    Winey 66.87%
    Fatty 62.93%
    Cognac 58.08%
    Waxy 55.78%
    Floral 53.84%
    Sweet 53.36%
    Herbal 50.48%

     

    Flavor
    Waxy 71.77%
    Fruity 64.43%
    Sweet 55.93%
    Oily 50.9%
    Soapy 50.23%
    Floral 43.16%
    Fatty 43.07%
    Green 42.14%
    Clean 39.39%
    Coconut 39.38%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    6.0

    pKa est.
    7.41 (neutral)

    Molecular weight
    242.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 291.00 to 292.00 °C. @ 760.00 mm Hg

    Flash point

    • 124.2 ˚C est.

    Solubility expt.

    • Insoluble in water; soluble in non-polar solvents
    • Soluble (in ethanol)

  • Synonyms

    • hexyl nonanoate
    • Hexyl nonan-1-oate
    • 6561-39-3
    • HEXYL PELARGONATE
    • Nonanoic acid, hexyl ester
    • 37165-63-2
    • R71E988O4U
    • EINECS 229-488-5
    • HEXYL NONANOATE [FHFI]
    • FEMA NO. 4339
    • DTXSID30215862
    • Nonanoic acid, 2-hexyl-
    • UNII-R71E988O4U
    • SCHEMBL2394804
    • DTXCID60138353
    • CHEBI:172088
    • LMFA07010910
    • NS00022633
    • Q27287872
    • 229-488-5

  • Applications

    Hexyl nonanoate (CAS 6561-39-3) is primarily used as a fragrance ingredient in perfumery and cosmetics, providing a fruity, pear-like aroma. It is commonly used in personal care products such as scented lotions, perfumes, and bath products, contributing a pleasant fragrance for consumers. It can also be used in household product formulations (air fresheners, laundry and cleaning products) as a fragrance component. In some industrial formulations, it may serve as a fragrance carrier or processing aid for other aroma compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 7311.13
    methanol 6832.64
    isopropanol 8244.85
    water 0.07
    ethyl acetate 13771.15
    n-propanol 6919.77
    acetone 20321.68
    n-butanol 6776.16
    acetonitrile 8015.24
    DMF 11866.89
    toluene 4159.0
    isobutanol 6238.21
    1,4-dioxane 9717.17
    methyl acetate 7884.58
    THF 14979.12
    2-butanone 12998.17
    n-pentanol 4077.35
    sec-butanol 6849.03
    n-hexane 3083.49
    ethylene glycol 284.14
    NMP 9355.42
    cyclohexane 5062.5
    DMSO 12847.4
    n-butyl acetate 10518.44
    n-octanol 1932.7
    chloroform 14257.63
    n-propyl acetate 9875.58
    acetic acid 4353.57
    dichloromethane 16050.05
    cyclohexanone 20511.23
    propylene glycol 768.94
    isopropyl acetate 9455.68
    DMAc 7945.12
    2-ethoxyethanol 4171.91
    isopentanol 6723.06
    n-heptane 1198.63
    ethyl formate 4987.05
    1,2-dichloroethane 14169.85
    n-hexanol 3762.32
    2-methoxyethanol 6734.26
    isobutyl acetate 5135.9
    tetrachloromethane 3179.06
    n-pentyl acetate 6755.6
    transcutol 13733.84
    n-heptanol 1822.01
    ethylbenzene 2318.89
    MIBK 7181.15
    2-propoxyethanol 4779.91
    tert-butanol 9540.78
    MTBE 13381.99
    2-butoxyethanol 3313.37
    propionic acid 4388.75
    o-xylene 2482.77
    formic acid 609.95
    diethyl ether 13965.75
    m-xylene 2605.43
    p-xylene 3318.47
    chlorobenzene 5601.97
    dimethyl carbonate 1649.81
    n-octane 427.85
    formamide 1458.13
    cyclopentanone 15618.94
    2-pentanone 14011.06
    anisole 3553.02
    cyclopentyl methyl ether 10752.2
    gamma-butyrolactone 12371.25
    1-methoxy-2-propanol 5950.64
    pyridine 10925.75
    3-pentanone 8085.61
    furfural 7463.6
    n-dodecane 195.32
    diethylene glycol 1859.4
    diisopropyl ether 4105.84
    tert-amyl alcohol 7833.06
    acetylacetone 10221.26
    n-hexadecane 245.45
    acetophenone 3526.82
    methyl propionate 7108.69
    isopentyl acetate 8723.17
    trichloroethylene 19092.19
    n-nonanol 1648.57
    cyclohexanol 8870.35
    benzyl alcohol 2293.89
    2-ethylhexanol 3120.71
    isooctanol 1764.28
    dipropyl ether 6088.82
    1,2-dichlorobenzene 4881.17
    ethyl lactate 1826.97
    propylene carbonate 6355.74
    n-methylformamide 4984.89
    2-pentanol 5878.67
    n-pentane 1863.76
    1-propoxy-2-propanol 5078.93
    1-methoxy-2-propyl acetate 5953.11
    2-(2-methoxypropoxy) propanol 2210.9
    mesitylene 1774.13
    ε-caprolactone 13203.97
    p-cymene 1335.32
    epichlorohydrin 12966.86
    1,1,1-trichloroethane 13461.29
    2-aminoethanol 1278.76
    morpholine-4-carbaldehyde 7520.5
    sulfolane 12589.67
    2,2,4-trimethylpentane 657.71
    2-methyltetrahydrofuran 15922.85
    n-hexyl acetate 7069.23
    isooctane 522.8
    2-(2-butoxyethoxy)ethanol 3469.51
    sec-butyl acetate 6653.05
    tert-butyl acetate 8727.33
    decalin 1289.15
    glycerin 847.68
    diglyme 7655.35
    acrylic acid 2410.5
    isopropyl myristate 1841.4
    n-butyric acid 10041.81
    acetyl acetate 5478.13
    di(2-ethylhexyl) phthalate 1164.07
    ethyl propionate 7737.81
    nitromethane 9996.5
    1,2-diethoxyethane 8598.2
    benzonitrile 4502.97
    trioctyl phosphate 976.9
    1-bromopropane 10931.14
    gamma-valerolactone 15425.95
    n-decanol 1019.75
    triethyl phosphate 1707.76
    4-methyl-2-pentanol 2930.35
    propionitrile 6822.04
    vinylene carbonate 4955.06
    1,1,2-trichlorotrifluoroethane 6373.68
    DMS 3320.54
    cumene 1429.7
    2-octanol 1753.49
    2-hexanone 8547.24
    octyl acetate 2206.29
    limonene 2833.56
    1,2-dimethoxyethane 10083.19
    ethyl orthosilicate 1801.47
    tributyl phosphate 1473.44
    diacetone alcohol 6146.32
    N,N-dimethylaniline 2301.55
    acrylonitrile 6150.57
    aniline 4104.71
    1,3-propanediol 2927.39
    bromobenzene 6887.1
    dibromomethane 12286.95
    1,1,2,2-tetrachloroethane 16401.43
    2-methyl-cyclohexyl acetate 3439.47
    tetrabutyl urea 1952.29
    diisobutyl methanol 1867.31
    2-phenylethanol 2304.76
    styrene 3253.56
    dioctyl adipate 2466.1
    dimethyl sulfate 2525.47
    ethyl butyrate 6846.41
    methyl lactate 1808.05
    butyl lactate 3284.02
    diethyl carbonate 3078.27
    propanediol butyl ether 2514.19
    triethyl orthoformate 3624.22
    p-tert-butyltoluene 1247.48
    methyl 4-tert-butylbenzoate 2598.05
    morpholine 14578.73
    tert-butylamine 6477.01
    n-dodecanol 723.6
    dimethoxymethane 6120.72
    ethylene carbonate 5265.58
    cyrene 1693.44
    2-ethoxyethyl acetate 5825.65
    2-ethylhexyl acetate 6601.54
    1,2,4-trichlorobenzene 5039.53
    4-methylpyridine 11112.88
    dibutyl ether 6450.09
    2,6-dimethyl-4-heptanol 1867.31
    DEF 12968.04
    dimethyl isosorbide 3977.29
    tetrachloroethylene 10390.45
    eugenol 2066.26
    triacetin 3956.81
    span 80 2379.66
    1,4-butanediol 990.45
    1,1-dichloroethane 14836.68
    2-methyl-1-pentanol 3812.61
    methyl formate 2815.9
    2-methyl-1-butanol 5861.47
    n-decane 481.17
    butyronitrile 8955.51
    3,7-dimethyl-1-octanol 2176.51
    1-chlorooctane 2286.43
    1-chlorotetradecane 611.22
    n-nonane 542.48
    undecane 279.03
    tert-butylcyclohexane 1002.05
    cyclooctane 1094.73
    cyclopentanol 7611.74
    tetrahydropyran 19933.35
    tert-amyl methyl ether 7790.7
    2,5,8-trioxanonane 3767.59
    1-hexene 7383.97
    2-isopropoxyethanol 3559.23
    2,2,2-trifluoroethanol 1167.93
    methyl butyrate 11163.47

    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