Decanoic acid, 3-oxo-, methyl ester

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  • Identifiers

    CAS number
    22348-96-5

    Molecular formula
    C11H20O3

    SMILES
    CCCCCCCC(=O)CC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 77.15%
    Fatty 64.91%
    Waxy 56.08%
    Green 44.51%
    Oily 44.22%
    Winey 42.7%
    Dairy 38.88%
    Floral 37.12%
    Creamy 36.66%
    Buttery 36.52%

     

    Flavor
    Fruity 69.92%
    Waxy 45.05%
    Fatty 41.24%
    Oily 40.76%
    Green 40.43%
    Sweet 36.29%
    Cheese 36.2%
    Tropical 33.47%
    Floral 32.14%
    Creamy 31.31%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    8.25 (weak base)

    Molecular weight
    200.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    264°C

    Flash point

    • 110.14 ˚C est.

  • Synonyms

    • Methyl 3-oxodecanoate
    • Decanoic acid, 3-oxo-, methyl ester
    • EINECS 244-928-6
    • DTXSID1066784
    • RefChem:131197
    • DTXCID1036670
    • 244-928-6
    • 22348-96-5
    • 3-Oxo-decanoic Acid Methyl Ester
    • MFCD00086084
    • 3-Oxodecanoic acid methyl ester
    • Methyl3-oxodecanoate
    • F3X4NR7XDE
    • orb3028741
    • SCHEMBL3450636
    • SCHEMBL10543757
    • FM25421
    • BP-29888
    • DB-086507
    • CS-0297509
    • NS00027138
    • EN300-173771
    • H20522
    • 348M965
    • 22348-96-5

  • Applications

    Decanoic acid, 3-oxo-, methyl ester (CAS 22348-96-5) is primarily used as an organic synthesis intermediate and building block for higher-value compounds; its beta-keto ester functionality enables enolate chemistry and carbon–carbon bond-forming steps that underpin routes to pharmaceutical and agrochemical products. It also serves as a precursor in polymer chemistry for functionalized polyesters or related copolymers, and can function as a fragrance intermediate in certain fragrance formulations where beta-keto ester motifs are relevant.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1640.52
    methanol 2086.4
    isopropanol 1230.25
    water 0.17
    ethyl acetate 906.21
    n-propanol 958.88
    acetone 2463.86
    n-butanol 793.06
    acetonitrile 1046.69
    DMF 2657.78
    toluene 260.84
    isobutanol 707.53
    1,4-dioxane 1421.43
    methyl acetate 774.42
    THF 2521.88
    2-butanone 1209.95
    n-pentanol 510.59
    sec-butanol 735.61
    n-hexane 36.1
    ethylene glycol 270.5
    NMP 1591.23
    cyclohexane 61.27
    DMSO 3593.77
    n-butyl acetate 470.01
    n-octanol 124.75
    chloroform 1827.83
    n-propyl acetate 456.96
    acetic acid 1256.3
    dichloromethane 1601.29
    cyclohexanone 1727.96
    propylene glycol 583.51
    isopropyl acetate 515.88
    DMAc 1516.13
    2-ethoxyethanol 843.54
    isopentanol 694.78
    n-heptane 10.63
    ethyl formate 507.48
    1,2-dichloroethane 1277.1
    n-hexanol 380.22
    2-methoxyethanol 1814.46
    isobutyl acetate 297.16
    tetrachloromethane 172.02
    n-pentyl acetate 214.39
    transcutol 2542.41
    n-heptanol 110.59
    ethylbenzene 149.08
    MIBK 511.66
    2-propoxyethanol 750.14
    tert-butanol 1460.98
    MTBE 734.75
    2-butoxyethanol 316.47
    propionic acid 782.85
    o-xylene 175.22
    formic acid 350.34
    diethyl ether 607.45
    m-xylene 205.21
    p-xylene 194.58
    chlorobenzene 446.78
    dimethyl carbonate 213.88
    n-octane 4.74
    formamide 581.94
    cyclopentanone 1888.56
    2-pentanone 937.76
    anisole 390.99
    cyclopentyl methyl ether 845.75
    gamma-butyrolactone 1782.9
    1-methoxy-2-propanol 1284.09
    pyridine 1081.88
    3-pentanone 521.26
    furfural 1260.85
    n-dodecane 4.99
    diethylene glycol 630.72
    diisopropyl ether 135.68
    tert-amyl alcohol 870.99
    acetylacetone 1037.89
    n-hexadecane 6.04
    acetophenone 384.08
    methyl propionate 632.8
    isopentyl acetate 437.46
    trichloroethylene 2205.34
    n-nonanol 106.7
    cyclohexanol 764.68
    benzyl alcohol 395.12
    2-ethylhexanol 183.84
    isooctanol 99.59
    dipropyl ether 182.21
    1,2-dichlorobenzene 399.19
    ethyl lactate 228.94
    propylene carbonate 766.78
    n-methylformamide 996.64
    2-pentanol 449.96
    n-pentane 20.64
    1-propoxy-2-propanol 503.92
    1-methoxy-2-propyl acetate 518.24
    2-(2-methoxypropoxy) propanol 418.76
    mesitylene 121.6
    ε-caprolactone 1090.81
    p-cymene 76.31
    epichlorohydrin 2036.15
    1,1,1-trichloroethane 1046.57
    2-aminoethanol 633.84
    morpholine-4-carbaldehyde 1327.61
    sulfolane 2273.64
    2,2,4-trimethylpentane 17.59
    2-methyltetrahydrofuran 1475.61
    n-hexyl acetate 349.78
    isooctane 14.52
    2-(2-butoxyethoxy)ethanol 579.29
    sec-butyl acetate 307.09
    tert-butyl acetate 589.87
    decalin 37.28
    glycerin 636.23
    diglyme 1087.77
    acrylic acid 577.44
    isopropyl myristate 114.74
    n-butyric acid 1082.11
    acetyl acetate 464.67
    di(2-ethylhexyl) phthalate 141.26
    ethyl propionate 390.42
    nitromethane 2011.38
    1,2-diethoxyethane 477.96
    benzonitrile 490.73
    trioctyl phosphate 89.63
    1-bromopropane 561.0
    gamma-valerolactone 2059.41
    n-decanol 74.53
    triethyl phosphate 134.17
    4-methyl-2-pentanol 222.58
    propionitrile 657.06
    vinylene carbonate 642.61
    1,1,2-trichlorotrifluoroethane 1326.52
    DMS 318.36
    cumene 100.08
    2-octanol 76.76
    2-hexanone 560.41
    octyl acetate 146.74
    limonene 128.06
    1,2-dimethoxyethane 1338.37
    ethyl orthosilicate 126.43
    tributyl phosphate 134.08
    diacetone alcohol 852.96
    N,N-dimethylaniline 246.53
    acrylonitrile 829.26
    aniline 509.09
    1,3-propanediol 942.03
    bromobenzene 461.36
    dibromomethane 1030.98
    1,1,2,2-tetrachloroethane 1975.93
    2-methyl-cyclohexyl acetate 248.59
    tetrabutyl urea 178.45
    diisobutyl methanol 105.97
    2-phenylethanol 310.18
    styrene 208.03
    dioctyl adipate 215.83
    dimethyl sulfate 459.76
    ethyl butyrate 280.94
    methyl lactate 395.48
    butyl lactate 250.03
    diethyl carbonate 191.76
    propanediol butyl ether 423.72
    triethyl orthoformate 189.46
    p-tert-butyltoluene 78.03
    methyl 4-tert-butylbenzoate 290.97
    morpholine 2234.27
    tert-butylamine 647.91
    n-dodecanol 53.82
    dimethoxymethane 867.18
    ethylene carbonate 522.29
    cyrene 395.95
    2-ethoxyethyl acetate 378.11
    2-ethylhexyl acetate 300.26
    1,2,4-trichlorobenzene 507.11
    4-methylpyridine 981.36
    dibutyl ether 177.06
    2,6-dimethyl-4-heptanol 105.97
    DEF 945.55
    dimethyl isosorbide 657.52
    tetrachloroethylene 1020.9
    eugenol 309.21
    triacetin 386.49
    span 80 351.18
    1,4-butanediol 308.39
    1,1-dichloroethane 1261.96
    2-methyl-1-pentanol 419.13
    methyl formate 609.28
    2-methyl-1-butanol 564.96
    n-decane 8.69
    butyronitrile 759.11
    3,7-dimethyl-1-octanol 163.42
    1-chlorooctane 74.77
    1-chlorotetradecane 25.77
    n-nonane 8.13
    undecane 6.28
    tert-butylcyclohexane 32.18
    cyclooctane 12.32
    cyclopentanol 933.96
    tetrahydropyran 1565.94
    tert-amyl methyl ether 439.25
    2,5,8-trioxanonane 710.35
    1-hexene 216.81
    2-isopropoxyethanol 521.88
    2,2,2-trifluoroethanol 290.62
    methyl butyrate 601.26

    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