Nonyl octanoate

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  • Identifiers

    CAS number
    7786-48-3

    Molecular formula
    C17H34O2

    SMILES
    CCCCCCCCCOC(=O)CCCCCCC

  • Odor profile

    Fragrance
    Oily 74.68%
    Fruity 72.27%
    Fatty 66.69%
    Waxy 58.26%
    Winey 56.52%
    Floral 55.71%
    Cognac 52.17%
    Sweet 45.66%
    Rose 45.4%
    Orange 38.69%

     

    Flavor
    Waxy 72.89%
    Oily 53.53%
    Fruity 51.8%
    Soapy 50.68%
    Sweet 50.43%
    Fatty 50.12%
    Coconut 42.71%
    Floral 39.51%
    Creamy 39.39%
    Mild 37.77%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    7.1

    pKa est.
    7.16 (neutral)

    Molecular weight
    270.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point

    • 315.00 °C. @ 760.00 mm Hg

    Flash point

    • 141.55 ˚C est.

    Solubility expt.

    • soluble in alcohol; insoluble in water

  • Synonyms

    • Nonyl octanoate
    • Nonyl caprylate
    • Nonyl octylate
    • 7786-48-3
    • Octanoic acid, nonyl ester
    • FEMA No. 2790
    • UNII-X6F9O759XX
    • X6F9O759XX
    • EINECS 232-099-3
    • NONYL OCTANOATE [FHFI]
    • DTXSID50228474
    • Octanoic acid, nonylester
    • Nonyl octanoate #
    • SCHEMBL333302
    • FEMA 2790
    • DTXCID70150965
    • CHEBI:169078
    • LMFA07010978
    • NS00022795
    • Q27293602
    • 232-099-3

  • Applications

    Nonyl octanoate (CAS 7786-48-3) is primarily used as a fragrance ingredient and fixative in perfumery; in cosmetics and personal care it serves as a fragrance component; it may function as a solvent or processing aid in coatings, inks, and adhesives; it can act as a plasticizer in certain polymer formulations; and it may serve as an intermediate in fragrance chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2949.64
    methanol 2472.7
    isopropanol 3758.56
    water 0.06
    ethyl acetate 8942.16
    n-propanol 3352.01
    acetone 9458.68
    n-butanol 3478.07
    acetonitrile 3623.26
    DMF 6987.57
    toluene 2786.67
    isobutanol 3154.27
    1,4-dioxane 6019.05
    methyl acetate 4885.11
    THF 10383.96
    2-butanone 7776.28
    n-pentanol 2245.6
    sec-butanol 3617.54
    n-hexane 1692.52
    ethylene glycol 108.04
    NMP 7305.4
    cyclohexane 3796.65
    DMSO 7339.0
    n-butyl acetate 7310.88
    n-octanol 1392.35
    chloroform 10004.3
    n-propyl acetate 7539.26
    acetic acid 2251.95
    dichloromethane 11092.47
    cyclohexanone 15102.94
    propylene glycol 351.19
    isopropyl acetate 6629.84
    DMAc 6075.92
    2-ethoxyethanol 2674.34
    isopentanol 3817.46
    n-heptane 916.78
    ethyl formate 3156.88
    1,2-dichloroethane 9882.57
    n-hexanol 2032.58
    2-methoxyethanol 3713.15
    isobutyl acetate 4045.94
    tetrachloromethane 2508.77
    n-pentyl acetate 5917.09
    transcutol 10019.59
    n-heptanol 1296.76
    ethylbenzene 1659.88
    MIBK 5383.67
    2-propoxyethanol 3006.83
    tert-butanol 4975.35
    MTBE 7906.12
    2-butoxyethanol 2469.44
    propionic acid 2605.08
    o-xylene 1916.59
    formic acid 293.79
    diethyl ether 8131.49
    m-xylene 1861.82
    p-xylene 2524.03
    chlorobenzene 4113.28
    dimethyl carbonate 1160.53
    n-octane 329.62
    formamide 773.73
    cyclopentanone 11336.07
    2-pentanone 8703.54
    anisole 2702.48
    cyclopentyl methyl ether 7753.99
    gamma-butyrolactone 9143.83
    1-methoxy-2-propanol 3695.95
    pyridine 7322.51
    3-pentanone 5591.89
    furfural 5751.39
    n-dodecane 145.89
    diethylene glycol 1030.33
    diisopropyl ether 2781.5
    tert-amyl alcohol 4440.11
    acetylacetone 6881.18
    n-hexadecane 186.81
    acetophenone 2928.28
    methyl propionate 4886.64
    isopentyl acetate 6353.63
    trichloroethylene 13715.33
    n-nonanol 1215.58
    cyclohexanol 5586.67
    benzyl alcohol 1609.71
    2-ethylhexanol 2068.75
    isooctanol 1317.25
    dipropyl ether 4591.6
    1,2-dichlorobenzene 3907.29
    ethyl lactate 1455.57
    propylene carbonate 4963.59
    n-methylformamide 2773.64
    2-pentanol 3326.16
    n-pentane 1052.16
    1-propoxy-2-propanol 3417.39
    1-methoxy-2-propyl acetate 4502.71
    2-(2-methoxypropoxy) propanol 1697.86
    mesitylene 1324.4
    ε-caprolactone 10241.54
    p-cymene 1102.14
    epichlorohydrin 9322.59
    1,1,1-trichloroethane 9666.93
    2-aminoethanol 574.07
    morpholine-4-carbaldehyde 5765.35
    sulfolane 10009.21
    2,2,4-trimethylpentane 483.12
    2-methyltetrahydrofuran 10796.17
    n-hexyl acetate 5736.13
    isooctane 350.94
    2-(2-butoxyethoxy)ethanol 2685.88
    sec-butyl acetate 5221.8
    tert-butyl acetate 6802.01
    decalin 987.16
    glycerin 413.94
    diglyme 6231.78
    acrylic acid 1375.28
    isopropyl myristate 1568.65
    n-butyric acid 6472.88
    acetyl acetate 3787.84
    di(2-ethylhexyl) phthalate 942.5
    ethyl propionate 6063.04
    nitromethane 5616.28
    1,2-diethoxyethane 6318.48
    benzonitrile 3241.89
    trioctyl phosphate 797.16
    1-bromopropane 7108.7
    gamma-valerolactone 11768.55
    n-decanol 740.85
    triethyl phosphate 1518.31
    4-methyl-2-pentanol 1851.86
    propionitrile 3902.15
    vinylene carbonate 3773.33
    1,1,2-trichlorotrifluoroethane 4668.45
    DMS 2653.14
    cumene 1079.2
    2-octanol 1282.29
    2-hexanone 5840.38
    octyl acetate 1858.57
    limonene 2367.96
    1,2-dimethoxyethane 6846.14
    ethyl orthosilicate 1592.17
    tributyl phosphate 1202.87
    diacetone alcohol 4528.75
    N,N-dimethylaniline 1829.9
    acrylonitrile 3460.46
    aniline 2664.66
    1,3-propanediol 1453.28
    bromobenzene 5098.4
    dibromomethane 8347.58
    1,1,2,2-tetrachloroethane 12293.45
    2-methyl-cyclohexyl acetate 2989.5
    tetrabutyl urea 1647.77
    diisobutyl methanol 1353.33
    2-phenylethanol 1600.83
    styrene 2323.63
    dioctyl adipate 2113.61
    dimethyl sulfate 1928.1
    ethyl butyrate 5669.79
    methyl lactate 1256.82
    butyl lactate 2757.97
    diethyl carbonate 2587.94
    propanediol butyl ether 1783.83
    triethyl orthoformate 3208.3
    p-tert-butyltoluene 1012.71
    methyl 4-tert-butylbenzoate 2296.52
    morpholine 9257.2
    tert-butylamine 3442.71
    n-dodecanol 526.41
    dimethoxymethane 3907.99
    ethylene carbonate 4076.14
    cyrene 1369.14
    2-ethoxyethyl acetate 4956.7
    2-ethylhexyl acetate 5067.38
    1,2,4-trichlorobenzene 4083.76
    4-methylpyridine 7566.17
    dibutyl ether 5066.72
    2,6-dimethyl-4-heptanol 1353.33
    DEF 9036.85
    dimethyl isosorbide 3310.68
    tetrachloroethylene 7890.62
    eugenol 1708.68
    triacetin 3492.66
    span 80 1833.63
    1,4-butanediol 512.81
    1,1-dichloroethane 9616.6
    2-methyl-1-pentanol 2288.56
    methyl formate 1565.04
    2-methyl-1-butanol 3302.49
    n-decane 371.93
    butyronitrile 5050.9
    3,7-dimethyl-1-octanol 1592.75
    1-chlorooctane 1835.84
    1-chlorotetradecane 487.14
    n-nonane 413.7
    undecane 212.84
    tert-butylcyclohexane 718.76
    cyclooctane 842.24
    cyclopentanol 4792.44
    tetrahydropyran 12682.15
    tert-amyl methyl ether 5224.04
    2,5,8-trioxanonane 2916.44
    1-hexene 3884.15
    2-isopropoxyethanol 2424.73
    2,2,2-trifluoroethanol 705.27
    methyl butyrate 8601.36

    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