Ethyl 2-ethylhexanoate

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  • Identifiers

    CAS number
    2983-37-1

    Molecular formula
    C10H20O2

    SMILES
    CCCCC(CC)C(=O)OCC

  • Odor profile

    Fragrance
    Fruity 92.95%
    Herbal 65.97%
    Fatty 53.28%
    Apple 50.92%
    Oily 47.07%
    Woody 44.79%
    Waxy 39.5%
    Winey 38.87%
    Sweet 35.7%
    Green 35.44%

     

    Flavor
    Fruity 88.5%
    Green 65.77%
    Waxy 55.96%
    Apple 55.65%
    Sweet 49.17%
    Tropical 44.52%
    Pineapple 43.11%
    Pear 42.99%
    Berry 40.87%
    Fruit 38.33%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    8.31 (weak base)

    Molecular weight
    172.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point

    • 81.00 °C. @ 24.00 mm Hg

    Flash point

    • 73.66 ˚C est.

    Solubility expt.

    • Practically insoluble or insoluble
    • Insoluble (in ethanol)

  • Synonyms

    • Ethyl 2-ethylhexanoate
    • 2983-37-1
    • Ethyl 2-ethylcaproate
    • Hexanoic acid, 2-ethyl-, ethyl ester
    • orris capronate
    • irotyl
    • UNII-G42R59N31I
    • G42R59N31I
    • Ethylalpha-ethylhexanoate
    • EINECS 221-043-3
    • Ethyl.alpha.-ethylhexanoate
    • AI3-33644
    • FEMA NO. 4345
    • YXAGIRHBJJLWHW-UHFFFAOYSA-
    • DTXSID40863070
    • ETHYL .ALPHA.-ETHYLCAPROATE
    • ETHYL 2-ETHYLHEXANOATE [FHFI]
    • Ethyl alpha-Ethylcaproate; Irotyl
    • ethyl2-ethylhexanoate
    • ethyl ethylhexanoate
    • MFCD00462678
    • Ethyl a-ethylcaproate
    • SCHEMBL332831
    • ETHYL ALPHA-ETHYLCAPROATE
    • DTXCID70811746
    • CHEBI:179548
    • LMFA07010855
    • STL301769
    • AKOS009513432
    • DS-2570
    • DB-370255
    • CS-0152384
    • NS00012402
    • C74530
    • Q27278712
    • 221-043-3

  • Applications

    Ethyl 2-ethylhexanoate (CAS 2983-37-1) is used as a fragrance ingredient and odorant in perfumery, providing fruity notes in consumer and professional formulations; it is also employed as a flavor/aroma compound in flavor formulations; in cosmetics and personal care it serves as a fragrance ingredient and a solvent in limited formulations; in household products it functions as a fragrance component and odor carrier in cleaning and household products; in coatings and inks it is used as a processing solvent to dissolve resins and facilitate formulation; in industrial manufacturing it serves as a solvent/processing aid for resin systems and other chemical formulations; and as an intermediate in organic synthesis for preparing related esters and specialty chemicals.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 14251.02
    methanol 14123.92
    isopropanol 13584.36
    water 2.1
    ethyl acetate 8952.67
    n-propanol 12069.83
    acetone 14699.59
    n-butanol 10564.5
    acetonitrile 14488.52
    DMF 10835.22
    toluene 4333.38
    isobutanol 10231.51
    1,4-dioxane 11172.08
    methyl acetate 7413.5
    THF 12478.26
    2-butanone 10032.06
    n-pentanol 6945.55
    sec-butanol 11858.18
    n-hexane 2603.16
    ethylene glycol 1125.22
    NMP 7753.6
    cyclohexane 4526.86
    DMSO 8616.56
    n-butyl acetate 8864.86
    n-octanol 3491.4
    chloroform 28141.44
    n-propyl acetate 5668.44
    acetic acid 8951.1
    dichloromethane 24792.2
    cyclohexanone 16139.13
    propylene glycol 2147.82
    isopropyl acetate 5077.73
    DMAc 5739.59
    2-ethoxyethanol 4815.09
    isopentanol 8549.68
    n-heptane 1219.08
    ethyl formate 6812.17
    1,2-dichloroethane 14247.94
    n-hexanol 7031.67
    2-methoxyethanol 7936.93
    isobutyl acetate 3104.22
    tetrachloromethane 4413.1
    n-pentyl acetate 4932.69
    transcutol 9149.39
    n-heptanol 2823.17
    ethylbenzene 2393.69
    MIBK 4081.67
    2-propoxyethanol 6212.24
    tert-butanol 12075.21
    MTBE 10018.99
    2-butoxyethanol 3429.31
    propionic acid 7233.13
    o-xylene 2205.48
    formic acid 1713.29
    diethyl ether 9591.5
    m-xylene 2259.57
    p-xylene 3323.79
    chlorobenzene 7934.65
    dimethyl carbonate 1526.7
    n-octane 537.97
    formamide 2646.5
    cyclopentanone 12007.77
    2-pentanone 8328.38
    anisole 3822.92
    cyclopentyl methyl ether 6662.95
    gamma-butyrolactone 11881.21
    1-methoxy-2-propanol 5698.21
    pyridine 14121.27
    3-pentanone 4851.82
    furfural 8570.17
    n-dodecane 359.08
    diethylene glycol 2752.91
    diisopropyl ether 2483.42
    tert-amyl alcohol 9822.5
    acetylacetone 5904.59
    n-hexadecane 419.83
    acetophenone 3309.26
    methyl propionate 5015.48
    isopentyl acetate 6393.71
    trichloroethylene 23564.51
    n-nonanol 2692.79
    cyclohexanol 10992.42
    benzyl alcohol 3279.51
    2-ethylhexanol 3852.93
    isooctanol 2219.06
    dipropyl ether 4153.23
    1,2-dichlorobenzene 5586.87
    ethyl lactate 1519.28
    propylene carbonate 6657.49
    n-methylformamide 6932.92
    2-pentanol 7555.11
    n-pentane 2048.73
    1-propoxy-2-propanol 5031.03
    1-methoxy-2-propyl acetate 3739.14
    2-(2-methoxypropoxy) propanol 2067.04
    mesitylene 1484.9
    ε-caprolactone 10873.83
    p-cymene 1446.58
    epichlorohydrin 13290.02
    1,1,1-trichloroethane 13918.98
    2-aminoethanol 3289.94
    morpholine-4-carbaldehyde 6479.88
    sulfolane 10395.63
    2,2,4-trimethylpentane 730.81
    2-methyltetrahydrofuran 12337.88
    n-hexyl acetate 6097.72
    isooctane 581.9
    2-(2-butoxyethoxy)ethanol 3135.24
    sec-butyl acetate 3269.07
    tert-butyl acetate 4285.26
    decalin 1131.16
    glycerin 1793.93
    diglyme 5817.47
    acrylic acid 4974.94
    isopropyl myristate 1827.84
    n-butyric acid 11234.77
    acetyl acetate 3807.02
    di(2-ethylhexyl) phthalate 1257.5
    ethyl propionate 3841.0
    nitromethane 11830.3
    1,2-diethoxyethane 5320.84
    benzonitrile 7096.56
    trioctyl phosphate 1142.54
    1-bromopropane 11448.14
    gamma-valerolactone 11740.36
    n-decanol 1748.65
    triethyl phosphate 1243.58
    4-methyl-2-pentanol 2966.06
    propionitrile 11131.42
    vinylene carbonate 6248.57
    1,1,2-trichlorotrifluoroethane 6828.84
    DMS 2571.04
    cumene 1430.48
    2-octanol 2623.65
    2-hexanone 5554.24
    octyl acetate 2441.28
    limonene 2536.7
    1,2-dimethoxyethane 9222.51
    ethyl orthosilicate 1233.93
    tributyl phosphate 1460.68
    diacetone alcohol 3666.58
    N,N-dimethylaniline 2147.82
    acrylonitrile 10866.78
    aniline 5124.64
    1,3-propanediol 4876.04
    bromobenzene 8796.57
    dibromomethane 17949.92
    1,1,2,2-tetrachloroethane 17778.84
    2-methyl-cyclohexyl acetate 2513.82
    tetrabutyl urea 1768.53
    diisobutyl methanol 1814.17
    2-phenylethanol 3078.27
    styrene 3575.93
    dioctyl adipate 2195.38
    dimethyl sulfate 2089.56
    ethyl butyrate 4234.51
    methyl lactate 1738.72
    butyl lactate 2723.34
    diethyl carbonate 2392.17
    propanediol butyl ether 3212.43
    triethyl orthoformate 2302.69
    p-tert-butyltoluene 1325.42
    methyl 4-tert-butylbenzoate 2307.76
    morpholine 14941.3
    tert-butylamine 8397.24
    n-dodecanol 1251.82
    dimethoxymethane 4675.51
    ethylene carbonate 5894.99
    cyrene 1695.01
    2-ethoxyethyl acetate 3870.44
    2-ethylhexyl acetate 4633.85
    1,2,4-trichlorobenzene 5683.09
    4-methylpyridine 13244.5
    dibutyl ether 4400.02
    2,6-dimethyl-4-heptanol 1814.17
    DEF 7760.91
    dimethyl isosorbide 3229.62
    tetrachloroethylene 11617.2
    eugenol 2174.84
    triacetin 2857.67
    span 80 2495.93
    1,4-butanediol 2215.13
    1,1-dichloroethane 18450.68
    2-methyl-1-pentanol 5574.55
    methyl formate 4694.27
    2-methyl-1-butanol 8549.11
    n-decane 712.25
    butyronitrile 13868.73
    3,7-dimethyl-1-octanol 2932.33
    1-chlorooctane 2631.89
    1-chlorotetradecane 855.81
    n-nonane 810.02
    undecane 480.23
    tert-butylcyclohexane 970.7
    cyclooctane 925.08
    cyclopentanol 9996.51
    tetrahydropyran 16855.8
    tert-amyl methyl ether 5430.11
    2,5,8-trioxanonane 3157.12
    1-hexene 6779.06
    2-isopropoxyethanol 3297.18
    2,2,2-trifluoroethanol 1777.12
    methyl butyrate 6718.68

    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