Heptanoic acid, 2-acetyl-, ethyl ester

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  • Identifiers

    CAS number
    24317-94-0

    Molecular formula
    C11H20O3

    SMILES
    CCCCCC(C(=O)C)C(=O)OCC

  • Odor profile

    Fragrance
    Fruity 93.85%
    Floral 78.57%
    Green 76.4%
    Herbal 71.51%
    Winey 56.58%
    Jasmin 47.68%
    Waxy 46.26%
    Apple 44.92%
    Sweet 37.98%
    Woody 36.81%

     

    Flavor
    Fruity 83.01%
    Berry 39.87%
    Tropical 39.64%
    Pineapple 38.26%
    Green 37.21%
    Fruit 34.45%
    Cheese 33.84%
    Waxy 32.47%
    Apple 31.34%
    Sweet 29.77%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.9

    pKa est.
    8.2 (weak base)

    Molecular weight
    200.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    238°C

    Flash point

    • 97.18 ˚C est.

  • Synonyms

    • Ethyl 2-acetylheptanoate
    • 24317-94-0
    • ethyl 2-pentylacetoacetate
    • Heptanoic acid, 2-acetyl-, ethyl ester
    • UNII-S67X93ZTKQ
    • S67X93ZTKQ
    • EINECS 246-157-0
    • NSC 67887
    • NSC-67887
    • AI3-06004
    • DTXSID30865144
    • Ethyl 2-Amylacetoacetate
    • 2-Acetylheptanoic Acid Ethyl Ester
    • ethyl 2-acetyl heptanoate
    • SCHEMBL4135628
    • DTXCID10813587
    • ethyl ester2-acetyl-heptanoic acid
    • 2-Amylacetoacetic Acid Ethyl Ester
    • ALBB-021831
    • NSC67887
    • STL283818
    • AKOS015831230
    • AS-58302
    • DA-34366
    • 2-ACETYL-HEPTANOIC ACID ETHYL ESTER
    • A0444
    • NS00012369
    • D88260
    • Q27288718

  • Applications

    Ethyl 2-acetylheptanoate (CAS 24317-94-0) is primarily used as an aroma compound in perfumery and flavor applications, contributing fruity notes; it is also employed as an odorant in cosmetics and personal care products and can be used to impart fragrance in household cleaners and air fresheners; in industrial manufacturing it can serve as an intermediate in organic synthesis; and it may function as a processing aid or solvent in coatings and ink formulations, with broader fragrance/flavor potential evaluated under appropriate regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3775.89
    methanol 4592.49
    isopropanol 3583.49
    water 0.85
    ethyl acetate 2623.49
    n-propanol 3114.84
    acetone 5731.02
    n-butanol 2880.98
    acetonitrile 3358.89
    DMF 5652.89
    toluene 1493.8
    isobutanol 2603.38
    1,4-dioxane 3855.49
    methyl acetate 2237.31
    THF 5684.51
    2-butanone 3309.11
    n-pentanol 1791.72
    sec-butanol 3015.48
    n-hexane 377.61
    ethylene glycol 559.13
    NMP 5016.18
    cyclohexane 831.06
    DMSO 5224.67
    n-butyl acetate 1639.38
    n-octanol 526.78
    chloroform 7417.75
    n-propyl acetate 1315.35
    acetic acid 3772.13
    dichloromethane 6059.08
    cyclohexanone 6215.11
    propylene glycol 966.01
    isopropyl acetate 1490.5
    DMAc 3224.52
    2-ethoxyethanol 1518.87
    isopentanol 2350.86
    n-heptane 95.76
    ethyl formate 1783.88
    1,2-dichloroethane 4353.12
    n-hexanol 1567.41
    2-methoxyethanol 3184.19
    isobutyl acetate 774.05
    tetrachloromethane 965.45
    n-pentyl acetate 882.92
    transcutol 3817.87
    n-heptanol 460.33
    ethylbenzene 699.03
    MIBK 1451.74
    2-propoxyethanol 1847.19
    tert-butanol 3503.43
    MTBE 2446.67
    2-butoxyethanol 798.59
    propionic acid 2581.26
    o-xylene 796.7
    formic acid 949.61
    diethyl ether 2383.26
    m-xylene 887.77
    p-xylene 933.78
    chlorobenzene 2432.1
    dimethyl carbonate 660.77
    n-octane 40.44
    formamide 1350.52
    cyclopentanone 5172.77
    2-pentanone 2789.63
    anisole 1122.15
    cyclopentyl methyl ether 2745.83
    gamma-butyrolactone 5391.61
    1-methoxy-2-propanol 2298.37
    pyridine 4071.9
    3-pentanone 1883.14
    furfural 3391.71
    n-dodecane 30.56
    diethylene glycol 1213.78
    diisopropyl ether 573.18
    tert-amyl alcohol 2944.96
    acetylacetone 2418.85
    n-hexadecane 37.67
    acetophenone 1128.2
    methyl propionate 1965.8
    isopentyl acetate 1371.32
    trichloroethylene 7774.81
    n-nonanol 423.54
    cyclohexanol 3689.67
    benzyl alcohol 1164.52
    2-ethylhexanol 742.48
    isooctanol 375.12
    dipropyl ether 664.86
    1,2-dichlorobenzene 1799.67
    ethyl lactate 524.02
    propylene carbonate 2537.01
    n-methylformamide 2629.45
    2-pentanol 1932.02
    n-pentane 293.16
    1-propoxy-2-propanol 1266.76
    1-methoxy-2-propyl acetate 1186.87
    2-(2-methoxypropoxy) propanol 770.85
    mesitylene 517.14
    ε-caprolactone 4061.06
    p-cymene 317.86
    epichlorohydrin 4999.8
    1,1,1-trichloroethane 4389.79
    2-aminoethanol 1338.31
    morpholine-4-carbaldehyde 3265.93
    sulfolane 5970.43
    2,2,4-trimethylpentane 131.53
    2-methyltetrahydrofuran 4439.12
    n-hexyl acetate 1303.16
    isooctane 91.46
    2-(2-butoxyethoxy)ethanol 1119.7
    sec-butyl acetate 860.39
    tert-butyl acetate 1478.42
    decalin 249.92
    glycerin 1048.28
    diglyme 1971.94
    acrylic acid 2012.68
    isopropyl myristate 374.24
    n-butyric acid 3678.78
    acetyl acetate 1445.63
    di(2-ethylhexyl) phthalate 391.82
    ethyl propionate 1086.12
    nitromethane 4958.9
    1,2-diethoxyethane 1224.97
    benzonitrile 1782.34
    trioctyl phosphate 283.84
    1-bromopropane 2579.71
    gamma-valerolactone 4960.12
    n-decanol 279.22
    triethyl phosphate 373.93
    4-methyl-2-pentanol 768.66
    propionitrile 2464.79
    vinylene carbonate 2169.63
    1,1,2-trichlorotrifluoroethane 3223.79
    DMS 960.39
    cumene 399.07
    2-octanol 373.99
    2-hexanone 1609.48
    octyl acetate 512.32
    limonene 609.76
    1,2-dimethoxyethane 2787.22
    ethyl orthosilicate 354.05
    tributyl phosphate 385.84
    diacetone alcohol 1662.94
    N,N-dimethylaniline 745.89
    acrylonitrile 2728.63
    aniline 1936.57
    1,3-propanediol 1874.16
    bromobenzene 2580.65
    dibromomethane 4393.47
    1,1,2,2-tetrachloroethane 6764.15
    2-methyl-cyclohexyl acetate 728.02
    tetrabutyl urea 514.82
    diisobutyl methanol 370.03
    2-phenylethanol 1007.82
    styrene 939.7
    dioctyl adipate 575.92
    dimethyl sulfate 1200.89
    ethyl butyrate 840.09
    methyl lactate 824.89
    butyl lactate 730.65
    diethyl carbonate 543.81
    propanediol butyl ether 964.14
    triethyl orthoformate 536.27
    p-tert-butyltoluene 297.91
    methyl 4-tert-butylbenzoate 743.52
    morpholine 5229.67
    tert-butylamine 2077.62
    n-dodecanol 196.74
    dimethoxymethane 1994.85
    ethylene carbonate 1940.09
    cyrene 851.04
    2-ethoxyethyl acetate 1025.55
    2-ethylhexyl acetate 981.99
    1,2,4-trichlorobenzene 2116.13
    4-methylpyridine 4174.49
    dibutyl ether 689.33
    2,6-dimethyl-4-heptanol 370.03
    DEF 3053.35
    dimethyl isosorbide 1355.48
    tetrachloroethylene 3887.42
    eugenol 731.61
    triacetin 954.27
    span 80 816.4
    1,4-butanediol 729.11
    1,1-dichloroethane 4856.08
    2-methyl-1-pentanol 1509.76
    methyl formate 1843.14
    2-methyl-1-butanol 2351.66
    n-decane 59.54
    butyronitrile 3005.37
    3,7-dimethyl-1-octanol 556.9
    1-chlorooctane 392.03
    1-chlorotetradecane 124.44
    n-nonane 61.15
    undecane 40.54
    tert-butylcyclohexane 196.72
    cyclooctane 155.93
    cyclopentanol 3377.89
    tetrahydropyran 5519.66
    tert-amyl methyl ether 1620.12
    2,5,8-trioxanonane 1197.41
    1-hexene 1255.02
    2-isopropoxyethanol 1061.2
    2,2,2-trifluoroethanol 931.97
    methyl butyrate 1768.59

    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