Allyl 2-ethylbutyrate

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  • Identifiers

    CAS number
    7493-69-8

    Molecular formula
    C9H16O2

    SMILES
    CCC(CC)C(=O)OCC=C

    Safety labels

    Flammable
    Flammable

  • Odor profile

    Fragrance
    Fruity 96.89%
    Pineapple 60.96%
    Sweet 58.91%
    Apple 57.97%
    Tropical 48.16%
    Ethereal 44.84%
    Green 40.13%
    Fatty 39.32%
    Banana 38.63%
    Winey 38.24%

     

    Flavor
    Fruity 82.4%
    Berry 41.84%
    Sweet 39.9%
    Pineapple 34.63%
    Apple 33.47%
    Tropical 33.29%
    Green 32.35%
    Fatty 30.7%
    Cheese 29.14%
    Grape 28.89%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.5

    pKa est.
    8.36 (weak base)

    Molecular weight
    156.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Fast

    Boiling point est.
    175°C

    Melting point expt.

    • 165 - 167 °C

    Flash point

    • 59.52 ˚C est.

    Solubility expt.

    • Insoluble in water, soluble in ethanol, and miscible with essential oils and flavour materials

  • Synonyms

    • ALLYL 2-ETHYLBUTYRATE
    • 7493-69-8
    • 2-Propenyl 2-ethylbutanoate
    • Allyl 2-ethyl butyrate
    • prop-2-enyl 2-ethylbutanoate
    • Butanoic acid, 2-ethyl-, 2-propenyl ester
    • 2-Propenyl 2-ethylbutyrate
    • Butyric acid, 2-ethyl-, allyl ester (8CI)
    • FEMA No. 2029
    • prop-2-en-1-yl 2-ethylbutanoate
    • UNII-T7177XGV3Q
    • Butyric acid, 2-ethyl-, allyl ester
    • Butanoic acid, 2-ethyl-, 2-propen-1-yl ester
    • T7177XGV3Q
    • Allyl 2-ethylbutanoate
    • Butyric acid, 2-ethyl-, 2-propenyl ester
    • EINECS 231-332-6
    • NSC 32637
    • NSC-32637
    • AI3-24767
    • DTXSID50864078
    • ALLYL 2-ETHYLBUTYRATE [FHFI]
    • ALLYL2-ETHYLBUTYRATE
    • Allyl 2-ethylbutanoate #
    • SCHEMBL873314
    • ALLYL-2-ETHYL BUTYRATE
    • Allyl 2-ethylbutyrate, >=98%
    • DTXCID40812629
    • CHEBI:171749
    • NSC32637
    • LMFA07010741
    • NS00046609
    • Q27289750
    • 231-332-6

  • Applications

    Allyl 2-ethylbutyrate is an allyl ester of 2-ethylbutyric acid and is used primarily as a fragrance ingredient in perfumery and cosmetic formulations. In perfumery, it contributes distinctive aroma notes and can serve as a component in fragrance blends; in cosmetics and personal care, it functions as a fragrance additive in products such as soaps, bath oils, and skin-care formulations. It may also be used in household products (air fresheners and cleaners) to impart fragrance. As an industrial intermediate, it is evaluated for synthesis routes in fragrance chemistry. Additionally, it may be considered for flavor/aroma applications in flavor formulations or as a fragrance additive for coatings and inks. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1675.14
    methanol 1911.66
    isopropanol 1623.63
    water 1.63
    ethyl acetate 1712.65
    n-propanol 1619.77
    acetone 2352.19
    n-butanol 1605.97
    acetonitrile 2343.69
    DMF 2020.98
    toluene 1025.2
    isobutanol 1523.97
    1,4-dioxane 2402.04
    methyl acetate 1666.06
    THF 2799.03
    2-butanone 2155.72
    n-pentanol 1355.28
    sec-butanol 1863.49
    n-hexane 687.11
    ethylene glycol 161.44
    NMP 2387.43
    cyclohexane 1035.85
    DMSO 1441.14
    n-butyl acetate 2039.7
    n-octanol 860.17
    chloroform 6607.0
    n-propyl acetate 1371.87
    acetic acid 1938.61
    dichloromethane 5146.38
    cyclohexanone 3486.39
    propylene glycol 296.37
    isopropyl acetate 990.99
    DMAc 1610.03
    2-ethoxyethanol 1070.05
    isopentanol 1495.34
    n-heptane 307.09
    ethyl formate 1274.31
    1,2-dichloroethane 2995.17
    n-hexanol 1465.79
    2-methoxyethanol 1349.66
    isobutyl acetate 837.39
    tetrachloromethane 1178.74
    n-pentyl acetate 1185.66
    transcutol 2474.39
    n-heptanol 694.29
    ethylbenzene 744.24
    MIBK 894.05
    2-propoxyethanol 1372.53
    tert-butanol 1930.18
    MTBE 1802.88
    2-butoxyethanol 830.95
    propionic acid 1527.17
    o-xylene 682.15
    formic acid 381.61
    diethyl ether 1711.39
    m-xylene 668.37
    p-xylene 1088.7
    chlorobenzene 2079.52
    dimethyl carbonate 414.14
    n-octane 160.5
    formamide 558.51
    cyclopentanone 2964.3
    2-pentanone 1646.45
    anisole 1101.26
    cyclopentyl methyl ether 1574.91
    gamma-butyrolactone 3258.28
    1-methoxy-2-propanol 998.54
    pyridine 2954.53
    3-pentanone 1244.34
    furfural 2401.4
    n-dodecane 112.3
    diethylene glycol 655.41
    diisopropyl ether 558.69
    tert-amyl alcohol 1966.29
    acetylacetone 1254.12
    n-hexadecane 128.7
    acetophenone 1062.15
    methyl propionate 1100.59
    isopentyl acetate 1574.36
    trichloroethylene 5747.37
    n-nonanol 698.03
    cyclohexanol 2002.04
    benzyl alcohol 910.8
    2-ethylhexanol 983.24
    isooctanol 580.66
    dipropyl ether 919.65
    1,2-dichlorobenzene 1674.7
    ethyl lactate 447.08
    propylene carbonate 1800.68
    n-methylformamide 1224.59
    2-pentanol 1272.51
    n-pentane 469.06
    1-propoxy-2-propanol 1093.38
    1-methoxy-2-propyl acetate 909.59
    2-(2-methoxypropoxy) propanol 681.53
    mesitylene 479.44
    ε-caprolactone 2514.72
    p-cymene 461.39
    epichlorohydrin 3070.1
    1,1,1-trichloroethane 3442.35
    2-aminoethanol 475.16
    morpholine-4-carbaldehyde 1724.48
    sulfolane 2795.71
    2,2,4-trimethylpentane 236.12
    2-methyltetrahydrofuran 2843.05
    n-hexyl acetate 1618.31
    isooctane 167.96
    2-(2-butoxyethoxy)ethanol 909.3
    sec-butyl acetate 859.3
    tert-butyl acetate 982.96
    decalin 370.17
    glycerin 328.1
    diglyme 1585.75
    acrylic acid 1248.9
    isopropyl myristate 542.26
    n-butyric acid 2160.59
    acetyl acetate 945.97
    di(2-ethylhexyl) phthalate 424.91
    ethyl propionate 1026.24
    nitromethane 2748.44
    1,2-diethoxyethane 1371.63
    benzonitrile 1815.54
    trioctyl phosphate 359.5
    1-bromopropane 2308.72
    gamma-valerolactone 2819.0
    n-decanol 479.55
    triethyl phosphate 460.58
    4-methyl-2-pentanol 664.41
    propionitrile 2107.36
    vinylene carbonate 1706.09
    1,1,2-trichlorotrifluoroethane 1699.42
    DMS 817.61
    cumene 502.12
    2-octanol 642.43
    2-hexanone 1426.76
    octyl acetate 704.74
    limonene 697.13
    1,2-dimethoxyethane 1984.49
    ethyl orthosilicate 460.73
    tributyl phosphate 477.37
    diacetone alcohol 877.29
    N,N-dimethylaniline 712.88
    acrylonitrile 2128.34
    aniline 1127.86
    1,3-propanediol 845.16
    bromobenzene 2369.39
    dibromomethane 3826.24
    1,1,2,2-tetrachloroethane 4566.94
    2-methyl-cyclohexyl acetate 852.42
    tetrabutyl urea 561.94
    diisobutyl methanol 496.43
    2-phenylethanol 883.95
    styrene 1003.26
    dioctyl adipate 665.17
    dimethyl sulfate 603.77
    ethyl butyrate 1132.51
    methyl lactate 423.82
    butyl lactate 728.26
    diethyl carbonate 785.58
    propanediol butyl ether 749.98
    triethyl orthoformate 715.83
    p-tert-butyltoluene 427.57
    methyl 4-tert-butylbenzoate 759.98
    morpholine 2794.01
    tert-butylamine 1483.46
    n-dodecanol 353.64
    dimethoxymethane 922.48
    ethylene carbonate 1478.91
    cyrene 619.74
    2-ethoxyethyl acetate 994.18
    2-ethylhexyl acetate 1249.49
    1,2,4-trichlorobenzene 1764.03
    4-methylpyridine 2883.5
    dibutyl ether 1112.53
    2,6-dimethyl-4-heptanol 496.43
    DEF 1647.41
    dimethyl isosorbide 1113.08
    tetrachloroethylene 3036.57
    eugenol 727.21
    triacetin 893.58
    span 80 727.41
    1,4-butanediol 423.01
    1,1-dichloroethane 3683.27
    2-methyl-1-pentanol 1315.36
    methyl formate 968.08
    2-methyl-1-butanol 1529.6
    n-decane 204.62
    butyronitrile 2535.3
    3,7-dimethyl-1-octanol 756.93
    1-chlorooctane 689.52
    1-chlorotetradecane 263.17
    n-nonane 225.04
    undecane 144.37
    tert-butylcyclohexane 316.46
    cyclooctane 274.59
    cyclopentanol 1829.24
    tetrahydropyran 3340.88
    tert-amyl methyl ether 1263.15
    2,5,8-trioxanonane 984.35
    1-hexene 1610.88
    2-isopropoxyethanol 779.02
    2,2,2-trifluoroethanol 531.91
    methyl butyrate 1586.28

    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