2-Nonenoic acid, pentyl ester

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  • Identifiers

    CAS number
    67663-04-1

    Molecular formula
    C14H26O2

    SMILES
    CCCCCCC=CC(=O)OCCCCC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 75.87%
    Green 73.71%
    Fatty 69.12%
    Waxy 61.33%
    Oily 52.58%
    Pear 50.84%
    Melon 38.45%
    Winey 38.42%
    Tropical 37.35%
    Herbal 36.35%

     

    Flavor
    Fruity 68.94%
    Green 65.52%
    Waxy 59.16%
    Pear 40.63%
    Fatty 40.13%
    Apple 38.52%
    Oily 37.47%
    Tropical 34.59%
    Herbal 32.24%
    Sweet 30.72%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.3

    pKa est.
    7.38 (neutral)

    Molecular weight
    226.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    281°C

    Flash point

    • 126.48 ˚C est.

  • Synonyms

    • 2-Nonenoic acid, pentyl ester
    • 67663-04-1
    • Amyl non-2-enoate
    • EINECS 266-850-1
    • DTXSID8070544
    • RefChem:477260
    • DTXCID9044956
    • NS00036145
    • 67663-04-1

  • Applications

    2-Nonenoic acid, pentyl ester is primarily used as a fragrance ingredient in perfumery and cosmetics, contributing distinctive aroma notes in both product categories; it may also serve as an intermediate in the synthesis of other aroma compounds. In household products and coatings/inks, the ester can function as a fragrance additive and, in some formulations, as a processing aid or plasticizer to aid handling and flexibility of materials. In the plastics and polymers sector, it may be used as a specialty ester to modify properties or as part of formulation packages for scent-related applications. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 6301.18
    methanol 6320.58
    isopropanol 5104.06
    water 0.06
    ethyl acetate 8124.91
    n-propanol 5122.72
    acetone 12923.97
    n-butanol 4749.82
    acetonitrile 5627.73
    DMF 9519.99
    toluene 3406.12
    isobutanol 4125.98
    1,4-dioxane 6104.84
    methyl acetate 4805.52
    THF 10318.52
    2-butanone 8572.84
    n-pentanol 2998.77
    sec-butanol 4802.41
    n-hexane 1786.27
    ethylene glycol 315.69
    NMP 6893.91
    cyclohexane 2675.49
    DMSO 10658.42
    n-butyl acetate 5540.54
    n-octanol 1000.07
    chloroform 9759.09
    n-propyl acetate 4880.25
    acetic acid 3110.59
    dichloromethane 11625.69
    cyclohexanone 12318.26
    propylene glycol 725.19
    isopropyl acetate 4826.07
    DMAc 5676.15
    2-ethoxyethanol 2868.59
    isopentanol 4138.22
    n-heptane 505.75
    ethyl formate 2925.12
    1,2-dichloroethane 11288.45
    n-hexanol 2779.94
    2-methoxyethanol 5045.06
    isobutyl acetate 2395.02
    tetrachloromethane 1751.87
    n-pentyl acetate 2944.79
    transcutol 9262.09
    n-heptanol 1007.26
    ethylbenzene 1571.71
    MIBK 3718.41
    2-propoxyethanol 3441.44
    tert-butanol 5541.76
    MTBE 7854.53
    2-butoxyethanol 1829.29
    propionic acid 2724.52
    o-xylene 1671.05
    formic acid 542.61
    diethyl ether 8799.03
    m-xylene 1938.02
    p-xylene 1913.47
    chlorobenzene 3996.13
    dimethyl carbonate 1231.2
    n-octane 171.27
    formamide 1227.68
    cyclopentanone 9671.7
    2-pentanone 8721.31
    anisole 2539.81
    cyclopentyl methyl ether 7135.7
    gamma-butyrolactone 8072.39
    1-methoxy-2-propanol 4165.33
    pyridine 7830.74
    3-pentanone 5388.56
    furfural 5080.11
    n-dodecane 90.04
    diethylene glycol 1661.33
    diisopropyl ether 2253.38
    tert-amyl alcohol 4832.06
    acetylacetone 5858.35
    n-hexadecane 112.33
    acetophenone 2319.74
    methyl propionate 4922.58
    isopentyl acetate 4487.97
    trichloroethylene 15249.75
    n-nonanol 861.47
    cyclohexanol 5391.49
    benzyl alcohol 1723.17
    2-ethylhexanol 1865.51
    isooctanol 922.73
    dipropyl ether 2940.58
    1,2-dichlorobenzene 3347.96
    ethyl lactate 1090.19
    propylene carbonate 3686.31
    n-methylformamide 3675.22
    2-pentanol 3837.38
    n-pentane 1183.83
    1-propoxy-2-propanol 3029.31
    1-methoxy-2-propyl acetate 3414.3
    2-(2-methoxypropoxy) propanol 1507.31
    mesitylene 1158.24
    ε-caprolactone 7614.05
    p-cymene 726.21
    epichlorohydrin 9648.52
    1,1,1-trichloroethane 8697.0
    2-aminoethanol 1248.27
    morpholine-4-carbaldehyde 4795.92
    sulfolane 8764.29
    2,2,4-trimethylpentane 392.13
    2-methyltetrahydrofuran 10419.12
    n-hexyl acetate 3287.56
    isooctane 317.52
    2-(2-butoxyethoxy)ethanol 2361.12
    sec-butyl acetate 3078.33
    tert-butyl acetate 4253.33
    decalin 721.26
    glycerin 768.25
    diglyme 4530.98
    acrylic acid 1761.48
    isopropyl myristate 933.81
    n-butyric acid 5696.26
    acetyl acetate 3121.36
    di(2-ethylhexyl) phthalate 711.69
    ethyl propionate 4011.69
    nitromethane 6480.21
    1,2-diethoxyethane 4936.92
    benzonitrile 2884.42
    trioctyl phosphate 541.49
    1-bromopropane 8037.14
    gamma-valerolactone 9055.42
    n-decanol 566.94
    triethyl phosphate 899.71
    4-methyl-2-pentanol 1669.9
    propionitrile 4400.58
    vinylene carbonate 2993.91
    1,1,2-trichlorotrifluoroethane 4654.67
    DMS 1986.89
    cumene 860.88
    2-octanol 855.07
    2-hexanone 4974.11
    octyl acetate 1167.04
    limonene 1516.55
    1,2-dimethoxyethane 5599.81
    ethyl orthosilicate 952.54
    tributyl phosphate 818.41
    diacetone alcohol 3346.97
    N,N-dimethylaniline 1531.73
    acrylonitrile 4343.86
    aniline 3313.2
    1,3-propanediol 2179.04
    bromobenzene 4788.77
    dibromomethane 8859.95
    1,1,2,2-tetrachloroethane 12364.87
    2-methyl-cyclohexyl acetate 1880.26
    tetrabutyl urea 1088.33
    diisobutyl methanol 993.88
    2-phenylethanol 1660.81
    styrene 2359.54
    dioctyl adipate 1291.23
    dimethyl sulfate 1825.18
    ethyl butyrate 3131.25
    methyl lactate 1288.15
    butyl lactate 1681.85
    diethyl carbonate 1575.04
    propanediol butyl ether 1572.05
    triethyl orthoformate 1695.01
    p-tert-butyltoluene 697.52
    methyl 4-tert-butylbenzoate 1462.25
    morpholine 9825.77
    tert-butylamine 4069.38
    n-dodecanol 408.48
    dimethoxymethane 4700.61
    ethylene carbonate 2776.96
    cyrene 1192.92
    2-ethoxyethyl acetate 3113.9
    2-ethylhexyl acetate 3426.02
    1,2,4-trichlorobenzene 3563.04
    4-methylpyridine 7862.41
    dibutyl ether 2890.03
    2,6-dimethyl-4-heptanol 993.88
    DEF 8333.31
    dimethyl isosorbide 2573.88
    tetrachloroethylene 7254.29
    eugenol 1338.62
    triacetin 2033.67
    span 80 1505.75
    1,4-butanediol 789.63
    1,1-dichloroethane 10436.77
    2-methyl-1-pentanol 2656.02
    methyl formate 2076.25
    2-methyl-1-butanol 4073.99
    n-decane 188.65
    butyronitrile 5797.45
    3,7-dimethyl-1-octanol 1219.3
    1-chlorooctane 1076.65
    1-chlorotetradecane 319.08
    n-nonane 212.83
    undecane 121.61
    tert-butylcyclohexane 572.12
    cyclooctane 589.67
    cyclopentanol 4516.47
    tetrahydropyran 12726.77
    tert-amyl methyl ether 4790.92
    2,5,8-trioxanonane 2555.28
    1-hexene 4758.15
    2-isopropoxyethanol 2235.1
    2,2,2-trifluoroethanol 715.59
    methyl butyrate 5850.31

    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