Nonyl butyrate

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  • Identifiers

    CAS number
    2639-64-7

    Molecular formula
    C13H26O2

    SMILES
    CCCCCCCCCOC(=O)CCC

  • Odor profile

    Fragrance
    Fruity 88.75%
    Oily 63.9%
    Waxy 62.58%
    Fatty 61.15%
    Winey 61.11%
    Sweet 60.79%
    Floral 57.58%
    Green 54.48%
    Rose 50.35%
    Cognac 49.54%

     

    Flavor
    Fruity 79.3%
    Waxy 74.12%
    Sweet 63.35%
    Green 58.54%
    Soapy 47.49%
    Wine 45.91%
    Floral 44.68%
    Oily 44.6%
    Apple 43.47%
    Pear 43.25%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.8

    pKa est.
    7.59 (neutral)

    Molecular weight
    214.34 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point

    • 107.42 ˚C est.

  • Synonyms

    • Nonyl butyrate
    • nonyl butanoate
    • 2639-64-7
    • Butanoic acid, nonyl ester
    • WE(9:0/4:0)
    • Nonyl butyrate #
    • EINECS 220-137-1
    • AI3-33560
    • SCHEMBL333278
    • DTXSID40180991
    • CHEBI:180115
    • LMFA07010421
    • NS00028105

  • Applications

    Nonyl butyrate (CAS 2639-64-7) is the ester of butyric acid with 9-nonanol, primarily used as an odorant in perfumery and fragrances with fruity and fresh notes; in cosmetics and personal care it may be added as a fragrance ingredient; in household cleaning products and detergents it is used to impart fragrance; it can function as a solvent or carrier for fragrance formulations; and it may serve as an intermediate or processing aid in industrial manufacturing or in coating and plastics formulations, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 12646.47
    methanol 11901.04
    isopropanol 13566.51
    water 0.1
    ethyl acetate 13271.56
    n-propanol 11734.97
    acetone 23510.62
    n-butanol 10153.53
    acetonitrile 11842.34
    DMF 10757.42
    toluene 4043.78
    isobutanol 9318.42
    1,4-dioxane 11061.77
    methyl acetate 8306.29
    THF 15177.73
    2-butanone 14305.07
    n-pentanol 6752.74
    sec-butanol 11140.65
    n-hexane 4807.06
    ethylene glycol 443.53
    NMP 7144.88
    cyclohexane 5849.27
    DMSO 11719.09
    n-butyl acetate 11335.47
    n-octanol 2796.34
    chloroform 17468.99
    n-propyl acetate 10217.13
    acetic acid 5805.2
    dichloromethane 17576.72
    cyclohexanone 19834.38
    propylene glycol 1168.02
    isopropyl acetate 8603.28
    DMAc 6185.35
    2-ethoxyethanol 5238.53
    isopentanol 8962.13
    n-heptane 1514.96
    ethyl formate 5892.85
    1,2-dichloroethane 13312.69
    n-hexanol 5572.16
    2-methoxyethanol 7957.36
    isobutyl acetate 5088.09
    tetrachloromethane 3145.51
    n-pentyl acetate 6405.56
    transcutol 13377.52
    n-heptanol 2343.85
    ethylbenzene 2384.31
    MIBK 6525.96
    2-propoxyethanol 5752.43
    tert-butanol 13254.01
    MTBE 14895.07
    2-butoxyethanol 3507.16
    propionic acid 5566.13
    o-xylene 2117.11
    formic acid 753.1
    diethyl ether 16688.63
    m-xylene 2226.17
    p-xylene 3239.49
    chlorobenzene 5652.92
    dimethyl carbonate 1313.05
    n-octane 558.4
    formamide 1532.65
    cyclopentanone 14064.51
    2-pentanone 14004.1
    anisole 3473.95
    cyclopentyl methyl ether 10136.59
    gamma-butyrolactone 10992.04
    1-methoxy-2-propanol 6521.87
    pyridine 11907.91
    3-pentanone 7542.66
    furfural 6631.28
    n-dodecane 255.53
    diethylene glycol 2156.11
    diisopropyl ether 4108.93
    tert-amyl alcohol 10410.14
    acetylacetone 8530.48
    n-hexadecane 315.51
    acetophenone 3257.66
    methyl propionate 6588.44
    isopentyl acetate 8240.45
    trichloroethylene 17797.87
    n-nonanol 2191.24
    cyclohexanol 10486.52
    benzyl alcohol 2572.02
    2-ethylhexanol 3851.28
    isooctanol 2085.81
    dipropyl ether 6998.31
    1,2-dichlorobenzene 4354.9
    ethyl lactate 1815.12
    propylene carbonate 5584.13
    n-methylformamide 5364.13
    2-pentanol 8449.53
    n-pentane 2605.78
    1-propoxy-2-propanol 5666.92
    1-methoxy-2-propyl acetate 5069.39
    2-(2-methoxypropoxy) propanol 2182.41
    mesitylene 1540.63
    ε-caprolactone 12408.34
    p-cymene 1326.88
    epichlorohydrin 12009.94
    1,1,1-trichloroethane 12731.04
    2-aminoethanol 1914.62
    morpholine-4-carbaldehyde 6284.78
    sulfolane 10098.84
    2,2,4-trimethylpentane 732.62
    2-methyltetrahydrofuran 16294.03
    n-hexyl acetate 6966.0
    isooctane 601.85
    2-(2-butoxyethoxy)ethanol 3509.91
    sec-butyl acetate 6180.8
    tert-butyl acetate 7290.86
    decalin 1375.26
    glycerin 1048.02
    diglyme 7068.22
    acrylic acid 2963.42
    isopropyl myristate 1822.76
    n-butyric acid 12084.08
    acetyl acetate 4911.77
    di(2-ethylhexyl) phthalate 1168.18
    ethyl propionate 6986.34
    nitromethane 10628.41
    1,2-diethoxyethane 8368.63
    benzonitrile 5083.6
    trioctyl phosphate 989.53
    1-bromopropane 12380.58
    gamma-valerolactone 14106.39
    n-decanol 1336.41
    triethyl phosphate 1476.02
    4-methyl-2-pentanol 3524.05
    propionitrile 9258.51
    vinylene carbonate 4538.25
    1,1,2-trichlorotrifluoroethane 5989.06
    DMS 2727.12
    cumene 1426.11
    2-octanol 2246.58
    2-hexanone 9901.6
    octyl acetate 2218.4
    limonene 2763.34
    1,2-dimethoxyethane 11615.91
    ethyl orthosilicate 1564.96
    tributyl phosphate 1397.78
    diacetone alcohol 5317.73
    N,N-dimethylaniline 2111.07
    acrylonitrile 8032.45
    aniline 4330.14
    1,3-propanediol 3828.05
    bromobenzene 6691.72
    dibromomethane 14123.91
    1,1,2,2-tetrachloroethane 14652.8
    2-methyl-cyclohexyl acetate 3089.45
    tetrabutyl urea 1759.18
    diisobutyl methanol 2057.4
    2-phenylethanol 2438.6
    styrene 3471.68
    dioctyl adipate 2291.85
    dimethyl sulfate 1852.09
    ethyl butyrate 6399.41
    methyl lactate 1667.0
    butyl lactate 3084.53
    diethyl carbonate 2810.38
    propanediol butyl ether 2827.77
    triethyl orthoformate 3239.77
    p-tert-butyltoluene 1198.26
    methyl 4-tert-butylbenzoate 2220.83
    morpholine 16466.14
    tert-butylamine 9250.01
    n-dodecanol 920.91
    dimethoxymethane 5989.76
    ethylene carbonate 4840.41
    cyrene 1577.63
    2-ethoxyethyl acetate 5016.5
    2-ethylhexyl acetate 6120.26
    1,2,4-trichlorobenzene 4454.77
    4-methylpyridine 11225.99
    dibutyl ether 6995.04
    2,6-dimethyl-4-heptanol 2057.4
    DEF 11593.78
    dimethyl isosorbide 3502.41
    tetrachloroethylene 9779.61
    eugenol 1902.08
    triacetin 3402.56
    span 80 2496.93
    1,4-butanediol 1421.5
    1,1-dichloroethane 15812.46
    2-methyl-1-pentanol 5617.39
    methyl formate 2946.65
    2-methyl-1-butanol 7956.87
    n-decane 627.24
    butyronitrile 12406.36
    3,7-dimethyl-1-octanol 2633.04
    1-chlorooctane 2565.87
    1-chlorotetradecane 692.64
    n-nonane 730.37
    undecane 370.07
    tert-butylcyclohexane 1145.47
    cyclooctane 1206.96
    cyclopentanol 9183.84
    tetrahydropyran 22731.08
    tert-amyl methyl ether 7908.67
    2,5,8-trioxanonane 3610.59
    1-hexene 11662.45
    2-isopropoxyethanol 4171.52
    2,2,2-trifluoroethanol 1176.22
    methyl butyrate 11027.98

    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