Nonanoic acid, 2-ethyl-

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  • Identifiers

    CAS number
    14276-84-7

    Molecular formula
    C11H22O2

    SMILES
    CCCCCCCC(CC)C(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fatty 61.39%
    Waxy 55.14%
    Herbal 54.8%
    Oily 49.98%
    Fruity 47.71%
    Woody 45.81%
    Cheesy 44.2%
    Citrus 42.24%
    Dairy 38.3%
    Fresh 38.04%

     

    Flavor
    Waxy 53.16%
    Fatty 51.27%
    Oily 42.86%
    Green 37.91%
    Fruity 34.64%
    Cheese 32.86%
    Fat 31.05%
    Mild 30.9%
    Creamy 28.67%
    Soapy 27.68%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    4.3

    pKa est.
    7.91 (neutral)

    Molecular weight
    186.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    269°C

    Flash point

    • 126.65 ˚C est.

  • Synonyms

    • Nonanoic acid, 2-ethyl-
    • EINECS 238-168-4
    • RefChem:854591
    • 2-ethylnonanoic acid
    • 14276-84-7
    • MFCD00049203
    • 2-Ethylnonan-1-oic acid
    • SCHEMBL197692
    • SCHEMBL7786728
    • SCHEMBL8146744
    • SCHEMBL27698303
    • DTXSID60881256
    • YRCGAHTZOXPQPR-UHFFFAOYSA-N
    • NS00054788
    • A1-23372
    • 14276-84-7

  • Applications

    Nonanoic acid, 2-ethyl- is primarily used as a chemical intermediate for the synthesis of branched aliphatic esters and fragrance-related compounds. In perfumery and cosmetics, it serves as a precursor to odorants and fixative esters used in fragrance formulations. In industrial manufacturing, it is used as a building block for specialty ester plasticizers and lubricant additives for polymers. In coatings and inks, it is employed as a precursor to resin-modifying esters, contributing to processing characteristics and gloss. It may also be used in surfactant synthesis and related cleaning formulations, where its branched chain influences surfactant tail properties. Applications may vary with local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9063.54
    methanol 9344.58
    isopropanol 10187.23
    water 0.13
    ethyl acetate 4483.82
    n-propanol 7428.71
    acetone 9529.93
    n-butanol 5504.51
    acetonitrile 3207.42
    DMF 6481.16
    toluene 849.3
    isobutanol 5703.88
    1,4-dioxane 5412.0
    methyl acetate 2654.45
    THF 8471.37
    2-butanone 5283.98
    n-pentanol 3860.52
    sec-butanol 6102.19
    n-hexane 1740.61
    ethylene glycol 440.22
    NMP 3799.55
    cyclohexane 1065.61
    DMSO 7182.68
    n-butyl acetate 4152.32
    n-octanol 1063.62
    chloroform 3479.81
    n-propyl acetate 3310.3
    acetic acid 2286.66
    dichloromethane 3531.07
    cyclohexanone 6145.43
    propylene glycol 1106.46
    isopropyl acetate 3141.04
    DMAc 2614.43
    2-ethoxyethanol 2911.18
    isopentanol 4803.23
    n-heptane 350.69
    ethyl formate 1978.65
    1,2-dichloroethane 3767.23
    n-hexanol 3623.62
    2-methoxyethanol 5211.91
    isobutyl acetate 1854.4
    tetrachloromethane 687.05
    n-pentyl acetate 1957.91
    transcutol 6820.07
    n-heptanol 1292.71
    ethylbenzene 598.26
    MIBK 2748.14
    2-propoxyethanol 4045.28
    tert-butanol 9807.78
    MTBE 7508.29
    2-butoxyethanol 1898.7
    propionic acid 2402.33
    o-xylene 587.56
    formic acid 529.34
    diethyl ether 6390.98
    m-xylene 733.34
    p-xylene 770.37
    chlorobenzene 1289.6
    dimethyl carbonate 462.39
    n-octane 141.87
    formamide 1047.44
    cyclopentanone 5920.29
    2-pentanone 5209.05
    anisole 1128.31
    cyclopentyl methyl ether 4478.57
    gamma-butyrolactone 5067.11
    1-methoxy-2-propanol 4527.01
    pyridine 2835.67
    3-pentanone 2546.94
    furfural 2457.55
    n-dodecane 72.14
    diethylene glycol 1745.97
    diisopropyl ether 1881.68
    tert-amyl alcohol 5808.66
    acetylacetone 2969.48
    n-hexadecane 86.86
    acetophenone 962.51
    methyl propionate 2492.57
    isopentyl acetate 3331.11
    trichloroethylene 4396.64
    n-nonanol 862.4
    cyclohexanol 4065.57
    benzyl alcohol 969.34
    2-ethylhexanol 1847.6
    isooctanol 1118.43
    dipropyl ether 2627.42
    1,2-dichlorobenzene 1145.03
    ethyl lactate 698.24
    propylene carbonate 2239.71
    n-methylformamide 3359.86
    2-pentanol 4346.14
    n-pentane 812.38
    1-propoxy-2-propanol 3268.06
    1-methoxy-2-propyl acetate 2429.13
    2-(2-methoxypropoxy) propanol 1062.1
    mesitylene 521.07
    ε-caprolactone 4199.44
    p-cymene 372.06
    epichlorohydrin 5255.03
    1,1,1-trichloroethane 2812.78
    2-aminoethanol 1911.34
    morpholine-4-carbaldehyde 3075.47
    sulfolane 5258.41
    2,2,4-trimethylpentane 279.86
    2-methyltetrahydrofuran 7220.72
    n-hexyl acetate 2120.46
    isooctane 263.47
    2-(2-butoxyethoxy)ethanol 1871.29
    sec-butyl acetate 2091.51
    tert-butyl acetate 3024.64
    decalin 354.78
    glycerin 944.66
    diglyme 3274.25
    acrylic acid 1268.71
    isopropyl myristate 615.47
    n-butyric acid 4772.5
    acetyl acetate 1267.67
    di(2-ethylhexyl) phthalate 465.74
    ethyl propionate 2065.2
    nitromethane 3559.22
    1,2-diethoxyethane 3641.64
    benzonitrile 1376.56
    trioctyl phosphate 422.31
    1-bromopropane 2971.33
    gamma-valerolactone 5763.51
    n-decanol 594.87
    triethyl phosphate 466.51
    4-methyl-2-pentanol 1963.31
    propionitrile 3271.84
    vinylene carbonate 1545.19
    1,1,2-trichlorotrifluoroethane 2274.25
    DMS 885.17
    cumene 436.98
    2-octanol 994.34
    2-hexanone 3506.95
    octyl acetate 773.33
    limonene 771.46
    1,2-dimethoxyethane 5092.55
    ethyl orthosilicate 535.58
    tributyl phosphate 548.67
    diacetone alcohol 2816.7
    N,N-dimethylaniline 766.33
    acrylonitrile 2480.05
    aniline 1422.81
    1,3-propanediol 2896.96
    bromobenzene 1256.24
    dibromomethane 2852.04
    1,1,2,2-tetrachloroethane 4124.21
    2-methyl-cyclohexyl acetate 1122.9
    tetrabutyl urea 686.41
    diisobutyl methanol 956.09
    2-phenylethanol 1154.07
    styrene 766.7
    dioctyl adipate 749.79
    dimethyl sulfate 788.54
    ethyl butyrate 1914.4
    methyl lactate 813.14
    butyl lactate 1209.93
    diethyl carbonate 830.44
    propanediol butyl ether 1596.89
    triethyl orthoformate 1086.56
    p-tert-butyltoluene 393.07
    methyl 4-tert-butylbenzoate 853.6
    morpholine 8120.63
    tert-butylamine 6271.08
    n-dodecanol 418.43
    dimethoxymethane 3201.6
    ethylene carbonate 1558.75
    cyrene 832.35
    2-ethoxyethyl acetate 1817.77
    2-ethylhexyl acetate 2309.15
    1,2,4-trichlorobenzene 1176.51
    4-methylpyridine 3124.4
    dibutyl ether 1971.55
    2,6-dimethyl-4-heptanol 956.09
    DEF 4553.22
    dimethyl isosorbide 1739.02
    tetrachloroethylene 2633.67
    eugenol 831.53
    triacetin 1012.91
    span 80 1132.07
    1,4-butanediol 1111.75
    1,1-dichloroethane 4239.0
    2-methyl-1-pentanol 2897.68
    methyl formate 1456.57
    2-methyl-1-butanol 3989.16
    n-decane 159.69
    butyronitrile 4428.14
    3,7-dimethyl-1-octanol 1154.08
    1-chlorooctane 749.03
    1-chlorotetradecane 214.85
    n-nonane 176.93
    undecane 102.32
    tert-butylcyclohexane 388.66
    cyclooctane 245.91
    cyclopentanol 4260.54
    tetrahydropyran 8326.06
    tert-amyl methyl ether 3638.92
    2,5,8-trioxanonane 1705.24
    1-hexene 4027.32
    2-isopropoxyethanol 2321.79
    2,2,2-trifluoroethanol 487.59
    methyl butyrate 3268.43

    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