Ethyl 2-acetyldodecanoate

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  • Identifiers

    CAS number
    40778-32-3

    Molecular formula
    C16H30O3

    SMILES
    CCCCCCCCCCC(C(=O)C)C(=O)OCC

  • Odor profile

    Fragrance
    Fruity 82.83%
    Floral 73.61%
    Waxy 60.4%
    Herbal 49.81%
    Oily 48.41%
    Fatty 45.74%
    Winey 44.61%
    Rose 42.61%
    Jasmin 42.14%
    Green 40.14%

     

    Flavor
    Fruity 58.64%
    Waxy 51.0%
    Oily 43.47%
    Fatty 34.66%
    Mild 32.13%
    Soapy 31.46%
    Green 30.92%
    Creamy 30.63%
    Tropical 28.94%
    Sweet 27.27%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.6

    pKa est.
    7.12 (neutral)

    Molecular weight
    270.41 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    318°C

    Flash point

    • 135.77 ˚C est.

  • Synonyms

    • ethyl 2-acetyldodecanoate
    • 40778-32-3
    • ethyl2-acetyldodecanoate
    • Ethyl alpha-n-decylacetoacetate
    • SCHEMBL6309982
    • XTIHUENEZQMZSG-UHFFFAOYSA-N
    • ALBB-021835
    • MFCD20129232
    • AKOS015831215
    • Dodecanoic acid, 2-acetyl-, ethyl ester
    • LS-06677
    • H33256

  • Applications

    Ethyl 2-acetyldodecanoate (CAS 40778-32-3) is used as a fragrance ingredient and scent intermediate in perfumery, contributing to fruity or floral notes and potentially serving as a fixative in formulations. It may function as a solvent or carrier component in cosmetics and personal care products, aiding the dissolution of other fragrance materials. In coatings and inks, it can act as a solvent and processing aid, facilitating formulation and film formation. In polymers and plastics, it may serve as a plasticizer or processing aid, improving flexibility and processing characteristics. It is also used as a synthetic intermediate in fragrance-related synthesis, enabling the construction of more complex aroma compounds. Its use is typically governed by formulation requirements and regulatory limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2975.38
    methanol 2743.97
    isopropanol 3582.51
    water 0.1
    ethyl acetate 4523.43
    n-propanol 3074.2
    acetone 7530.9
    n-butanol 2774.15
    acetonitrile 3519.28
    DMF 5207.43
    toluene 1958.25
    isobutanol 2836.51
    1,4-dioxane 4776.05
    methyl acetate 3094.14
    THF 8094.89
    2-butanone 5043.86
    n-pentanol 1729.24
    sec-butanol 3238.27
    n-hexane 585.19
    ethylene glycol 166.89
    NMP 5246.49
    cyclohexane 1725.84
    DMSO 5421.05
    n-butyl acetate 2659.93
    n-octanol 647.74
    chloroform 8471.54
    n-propyl acetate 2934.7
    acetic acid 2095.63
    dichloromethane 8376.26
    cyclohexanone 9910.53
    propylene glycol 483.23
    isopropyl acetate 2981.91
    DMAc 3999.35
    2-ethoxyethanol 1729.76
    isopentanol 2596.24
    n-heptane 185.36
    ethyl formate 2139.78
    1,2-dichloroethane 6502.46
    n-hexanol 1380.27
    2-methoxyethanol 2949.36
    isobutyl acetate 1577.76
    tetrachloromethane 1483.2
    n-pentyl acetate 1928.94
    transcutol 4371.0
    n-heptanol 572.5
    ethylbenzene 942.18
    MIBK 2550.79
    2-propoxyethanol 1798.72
    tert-butanol 3986.72
    MTBE 4038.45
    2-butoxyethanol 1156.58
    propionic acid 2069.15
    o-xylene 1094.74
    formic acid 319.59
    diethyl ether 4036.75
    m-xylene 1125.62
    p-xylene 1365.76
    chlorobenzene 2875.71
    dimethyl carbonate 742.6
    n-octane 83.8
    formamide 724.28
    cyclopentanone 8218.2
    2-pentanone 4620.38
    anisole 1484.25
    cyclopentyl methyl ether 4686.46
    gamma-butyrolactone 6815.65
    1-methoxy-2-propanol 2521.47
    pyridine 5239.5
    3-pentanone 3001.68
    furfural 3863.98
    n-dodecane 51.94
    diethylene glycol 818.03
    diisopropyl ether 1061.1
    tert-amyl alcohol 3251.73
    acetylacetone 3812.26
    n-hexadecane 65.43
    acetophenone 1531.82
    methyl propionate 2846.2
    isopentyl acetate 2274.81
    trichloroethylene 9472.75
    n-nonanol 552.13
    cyclohexanol 4296.42
    benzyl alcohol 1203.21
    2-ethylhexanol 926.72
    isooctanol 552.7
    dipropyl ether 1305.69
    1,2-dichlorobenzene 2314.3
    ethyl lactate 756.76
    propylene carbonate 3331.52
    n-methylformamide 2181.68
    2-pentanol 2230.55
    n-pentane 429.02
    1-propoxy-2-propanol 1558.44
    1-methoxy-2-propyl acetate 1806.38
    2-(2-methoxypropoxy) propanol 890.02
    mesitylene 771.48
    ε-caprolactone 6198.53
    p-cymene 460.63
    epichlorohydrin 7104.77
    1,1,1-trichloroethane 6639.07
    2-aminoethanol 712.42
    morpholine-4-carbaldehyde 3609.34
    sulfolane 6851.03
    2,2,4-trimethylpentane 189.85
    2-methyltetrahydrofuran 7430.71
    n-hexyl acetate 2256.9
    isooctane 126.53
    2-(2-butoxyethoxy)ethanol 1291.79
    sec-butyl acetate 1842.52
    tert-butyl acetate 2871.6
    decalin 422.45
    glycerin 511.77
    diglyme 2680.97
    acrylic acid 1218.78
    isopropyl myristate 627.98
    n-butyric acid 3997.05
    acetyl acetate 2028.27
    di(2-ethylhexyl) phthalate 502.22
    ethyl propionate 2376.27
    nitromethane 4436.7
    1,2-diethoxyethane 2087.83
    benzonitrile 2031.27
    trioctyl phosphate 389.92
    1-bromopropane 4349.97
    gamma-valerolactone 7685.42
    n-decanol 352.05
    triethyl phosphate 595.32
    4-methyl-2-pentanol 998.1
    propionitrile 2897.01
    vinylene carbonate 2481.59
    1,1,2-trichlorotrifluoroethane 3204.47
    DMS 1334.48
    cumene 567.92
    2-octanol 547.35
    2-hexanone 2898.41
    octyl acetate 790.13
    limonene 968.28
    1,2-dimethoxyethane 3891.5
    ethyl orthosilicate 564.11
    tributyl phosphate 538.79
    diacetone alcohol 2404.02
    N,N-dimethylaniline 933.96
    acrylonitrile 2738.99
    aniline 2021.62
    1,3-propanediol 1339.97
    bromobenzene 3226.79
    dibromomethane 6163.57
    1,1,2,2-tetrachloroethane 8355.33
    2-methyl-cyclohexyl acetate 1202.94
    tetrabutyl urea 715.33
    diisobutyl methanol 494.35
    2-phenylethanol 990.64
    styrene 1260.98
    dioctyl adipate 923.29
    dimethyl sulfate 1233.35
    ethyl butyrate 1692.55
    methyl lactate 879.66
    butyl lactate 1147.69
    diethyl carbonate 909.03
    propanediol butyl ether 1016.98
    triethyl orthoformate 959.43
    p-tert-butyltoluene 426.18
    methyl 4-tert-butylbenzoate 1128.86
    morpholine 6879.87
    tert-butylamine 2432.57
    n-dodecanol 255.91
    dimethoxymethane 2372.25
    ethylene carbonate 2552.31
    cyrene 992.02
    2-ethoxyethyl acetate 1877.68
    2-ethylhexyl acetate 1728.68
    1,2,4-trichlorobenzene 2655.35
    4-methylpyridine 4966.92
    dibutyl ether 1355.56
    2,6-dimethyl-4-heptanol 494.35
    DEF 4528.81
    dimethyl isosorbide 1752.07
    tetrachloroethylene 5160.97
    eugenol 898.91
    triacetin 1468.92
    span 80 996.37
    1,4-butanediol 516.44
    1,1-dichloroethane 7081.45
    2-methyl-1-pentanol 1526.1
    methyl formate 1402.62
    2-methyl-1-butanol 2458.91
    n-decane 113.02
    butyronitrile 3607.6
    3,7-dimethyl-1-octanol 675.49
    1-chlorooctane 701.99
    1-chlorotetradecane 202.15
    n-nonane 115.51
    undecane 70.88
    tert-butylcyclohexane 292.59
    cyclooctane 298.93
    cyclopentanol 4396.4
    tetrahydropyran 8651.85
    tert-amyl methyl ether 2526.14
    2,5,8-trioxanonane 1511.91
    1-hexene 1871.15
    2-isopropoxyethanol 1348.22
    2,2,2-trifluoroethanol 636.81
    methyl butyrate 3543.14

    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