Nonyl isovalerate

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  • Identifiers

    CAS number
    7786-47-2

    Molecular formula
    C14H28O2

    SMILES
    CCCCCCCCCOC(=O)CC(C)C

  • Odor profile

    Fragrance
    Fruity 89.13%
    Oily 64.82%
    Herbal 59.38%
    Winey 58.88%
    Green 58.64%
    Fatty 52.85%
    Waxy 52.06%
    Apple 49.93%
    Floral 49.12%
    Cognac 46.59%

     

    Flavor
    Fruity 62.59%
    Waxy 59.59%
    Oily 51.73%
    Green 51.56%
    Floral 49.2%
    Sweet 44.79%
    Soapy 42.97%
    Rose 39.03%
    Tropical 36.15%
    Clean 35.4%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.2

    pKa est.
    7.45 (neutral)

    Molecular weight
    228.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point

    • 264.00 °C. @ 760.00 mm Hg

    Flash point

    • 111.29 ˚C est.

    Solubility expt.

    • soluble in alcohol; insoluble in water

  • Synonyms

    • Nonyl isovalerate
    • Nonyl 3-methylbutanoate
    • Nonyl isopentanoate
    • Nonyl isovalerianate
    • Isovaleric acid, nonyl ester
    • 7786-47-2
    • FEMA No. 2791
    • UNII-SXP0UF66RQ
    • SXP0UF66RQ
    • Butanoic acid, 3-methyl-, nonyl ester
    • EINECS 232-098-8
    • NONYL ISOVALERATE [FHFI]
    • DTXSID90228473
    • FEMA 2791
    • Isovaleriansaurenonylester
    • SCHEMBL3504225
    • DTXCID10150964
    • CHEBI:179776
    • LMFA07010977
    • NS00022794
    • Q27289452
    • 232-098-8

  • Applications

    Nonyl isovalerate (CAS 7786-47-2) is used primarily as a fragrance ingredient and odorant in perfumery and cosmetics/personal care, contributing a long-chain aroma to formulations. It is also employed in household products such as air fresheners and cleaners to impart a lasting scent. In industrial contexts, the ester may appear as a fragrance additive in coatings, inks, and polymer formulations to provide aroma without compromising performance. Depending on regional regulations and formulation constraints, it may be evaluated for use in other fragrance-release systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 11884.66
    methanol 10042.09
    isopropanol 13736.94
    water 0.17
    ethyl acetate 10471.51
    n-propanol 11105.11
    acetone 19533.03
    n-butanol 9893.27
    acetonitrile 8624.65
    DMF 8790.15
    toluene 3398.42
    isobutanol 9350.9
    1,4-dioxane 9419.55
    methyl acetate 6534.99
    THF 15366.23
    2-butanone 11531.32
    n-pentanol 6182.2
    sec-butanol 10978.82
    n-hexane 4227.95
    ethylene glycol 461.0
    NMP 6452.58
    cyclohexane 5903.88
    DMSO 8771.85
    n-butyl acetate 9190.31
    n-octanol 2701.99
    chloroform 16252.44
    n-propyl acetate 7601.08
    acetic acid 5729.59
    dichloromethane 14694.79
    cyclohexanone 18482.56
    propylene glycol 1375.7
    isopropyl acetate 7217.3
    DMAc 5042.7
    2-ethoxyethanol 4221.41
    isopentanol 9018.87
    n-heptane 1432.34
    ethyl formate 4977.06
    1,2-dichloroethane 10906.63
    n-hexanol 5806.3
    2-methoxyethanol 6996.92
    isobutyl acetate 4221.28
    tetrachloromethane 3038.08
    n-pentyl acetate 5160.4
    transcutol 11091.32
    n-heptanol 2356.24
    ethylbenzene 2030.59
    MIBK 6046.25
    2-propoxyethanol 5440.34
    tert-butanol 12784.62
    MTBE 12531.1
    2-butoxyethanol 3206.2
    propionic acid 5123.34
    o-xylene 1916.32
    formic acid 763.66
    diethyl ether 12030.16
    m-xylene 2056.94
    p-xylene 2807.27
    chlorobenzene 5082.44
    dimethyl carbonate 1146.06
    n-octane 539.92
    formamide 1295.35
    cyclopentanone 12938.34
    2-pentanone 11697.21
    anisole 2821.95
    cyclopentyl methyl ether 9166.16
    gamma-butyrolactone 9962.66
    1-methoxy-2-propanol 6230.18
    pyridine 9116.18
    3-pentanone 6223.8
    furfural 6150.47
    n-dodecane 255.14
    diethylene glycol 2040.87
    diisopropyl ether 3697.9
    tert-amyl alcohol 9962.82
    acetylacetone 7421.08
    n-hexadecane 311.81
    acetophenone 2655.58
    methyl propionate 5258.45
    isopentyl acetate 7235.95
    trichloroethylene 16078.6
    n-nonanol 2115.2
    cyclohexanol 10303.25
    benzyl alcohol 2277.15
    2-ethylhexanol 3648.73
    isooctanol 2059.76
    dipropyl ether 5721.08
    1,2-dichlorobenzene 4023.04
    ethyl lactate 1626.32
    propylene carbonate 5669.66
    n-methylformamide 4159.51
    2-pentanol 8467.72
    n-pentane 2513.89
    1-propoxy-2-propanol 5182.08
    1-methoxy-2-propyl acetate 4501.73
    2-(2-methoxypropoxy) propanol 2093.84
    mesitylene 1472.78
    ε-caprolactone 11299.19
    p-cymene 1213.9
    epichlorohydrin 10990.25
    1,1,1-trichloroethane 11733.83
    2-aminoethanol 1920.9
    morpholine-4-carbaldehyde 5584.75
    sulfolane 9408.99
    2,2,4-trimethylpentane 772.95
    2-methyltetrahydrofuran 14622.37
    n-hexyl acetate 6188.22
    isooctane 656.54
    2-(2-butoxyethoxy)ethanol 3264.88
    sec-butyl acetate 4971.26
    tert-butyl acetate 6618.67
    decalin 1315.82
    glycerin 1136.84
    diglyme 6217.56
    acrylic acid 2761.72
    isopropyl myristate 1787.04
    n-butyric acid 11470.87
    acetyl acetate 4352.74
    di(2-ethylhexyl) phthalate 1138.44
    ethyl propionate 5197.61
    nitromethane 8480.44
    1,2-diethoxyethane 6105.8
    benzonitrile 4350.08
    trioctyl phosphate 962.5
    1-bromopropane 9789.27
    gamma-valerolactone 13262.96
    n-decanol 1343.87
    triethyl phosphate 1249.16
    4-methyl-2-pentanol 3707.48
    propionitrile 7047.54
    vinylene carbonate 4271.05
    1,1,2-trichlorotrifluoroethane 5509.81
    DMS 2434.45
    cumene 1261.1
    2-octanol 2224.83
    2-hexanone 8170.69
    octyl acetate 2142.15
    limonene 2624.26
    1,2-dimethoxyethane 9284.24
    ethyl orthosilicate 1338.92
    tributyl phosphate 1329.69
    diacetone alcohol 5191.91
    N,N-dimethylaniline 1777.83
    acrylonitrile 5656.37
    aniline 3656.95
    1,3-propanediol 3912.74
    bromobenzene 5649.98
    dibromomethane 11803.7
    1,1,2,2-tetrachloroethane 13837.85
    2-methyl-cyclohexyl acetate 2876.14
    tetrabutyl urea 1697.57
    diisobutyl methanol 2030.52
    2-phenylethanol 2267.11
    styrene 2592.16
    dioctyl adipate 2166.34
    dimethyl sulfate 1642.86
    ethyl butyrate 5146.64
    methyl lactate 1622.93
    butyl lactate 2813.38
    diethyl carbonate 2362.56
    propanediol butyl ether 2820.98
    triethyl orthoformate 2751.0
    p-tert-butyltoluene 1135.98
    methyl 4-tert-butylbenzoate 2080.87
    morpholine 14027.48
    tert-butylamine 8900.54
    n-dodecanol 958.11
    dimethoxymethane 4805.42
    ethylene carbonate 4666.71
    cyrene 1552.62
    2-ethoxyethyl acetate 4117.21
    2-ethylhexyl acetate 5332.27
    1,2,4-trichlorobenzene 4148.37
    4-methylpyridine 8910.04
    dibutyl ether 5641.32
    2,6-dimethyl-4-heptanol 2030.52
    DEF 8803.76
    dimethyl isosorbide 3293.46
    tetrachloroethylene 8836.0
    eugenol 1816.7
    triacetin 3126.22
    span 80 2510.43
    1,4-butanediol 1398.42
    1,1-dichloroethane 13983.29
    2-methyl-1-pentanol 5149.68
    methyl formate 2514.75
    2-methyl-1-butanol 7777.68
    n-decane 599.15
    butyronitrile 10623.61
    3,7-dimethyl-1-octanol 2616.73
    1-chlorooctane 2423.98
    1-chlorotetradecane 703.3
    n-nonane 703.49
    undecane 361.57
    tert-butylcyclohexane 1121.19
    cyclooctane 1214.17
    cyclopentanol 9138.03
    tetrahydropyran 19213.05
    tert-amyl methyl ether 6742.58
    2,5,8-trioxanonane 3222.65
    1-hexene 9311.61
    2-isopropoxyethanol 3448.43
    2,2,2-trifluoroethanol 1240.77
    methyl butyrate 8188.34

    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