Methyl 5-oxodecanoate

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  • Identifiers

    CAS number
    6093-95-4

    Molecular formula
    C11H20O3

    SMILES
    CCCCCC(=O)CCCC(=O)OC

    Safety labels

  • Odor profile

    Fragrance
    Fruity 80.65%
    Fatty 38.45%
    Oily 34.63%
    Winey 33.3%
    Caramellic 32.79%
    Waxy 32.08%
    Pineapple 30.98%
    Green 30.18%
    Buttery 29.77%
    Peach 29.71%

     

    Flavor
    Fruity 74.43%
    Pineapple 48.06%
    Sweet 47.72%
    Cheese 37.87%
    Tropical 36.51%
    Berry 32.88%
    Fatty 31.93%
    Fruit 31.25%
    Oily 29.84%
    Waxy 29.24%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.38 (weak base)

    Molecular weight
    200.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    268°C

    Flash point

    • 114.69 ˚C est.

  • Synonyms

    • Methyl 5-oxodecanoate
    • BSM9ZQV9NE
    • EINECS 228-040-6
    • Decanoic acid, 5-oxo-, methyl ester
    • DTXSID50209763
    • RefChem:157702
    • DTXCID00132254
    • 228-040-6
    • 6093-95-4
    • UNII-BSM9ZQV9NE
    • SCHEMBL5858244
    • IMUCAHOFGPVTBF-UHFFFAOYSA-N
    • NS00034500
    • 6093-95-4

  • Applications

    Methyl 5-oxodecanoate (CAS 6093-95-4) is used primarily as an organic synthesis intermediate in multiple industries. In fragrance chemistry it serves as a building block for odorants and aroma esters. It is commonly evaluated as an intermediate in pharmaceutical synthesis and related processes. In the polymers and coatings sectors it can act as a precursor for specialty monomers or as a processing aid in formulations. It may also function as a solvent or diluent in niche cleaning or formulation applications in industrial manufacturing. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2068.04
    methanol 3539.72
    isopropanol 1386.76
    water 1.16
    ethyl acetate 1832.38
    n-propanol 1240.54
    acetone 4036.3
    n-butanol 979.07
    acetonitrile 2362.15
    DMF 3941.66
    toluene 447.64
    isobutanol 838.07
    1,4-dioxane 2018.96
    methyl acetate 1410.25
    THF 2900.29
    2-butanone 1825.21
    n-pentanol 679.81
    sec-butanol 927.22
    n-hexane 46.42
    ethylene glycol 284.23
    NMP 3240.78
    cyclohexane 75.78
    DMSO 5862.91
    n-butyl acetate 858.61
    n-octanol 176.18
    chloroform 3008.67
    n-propyl acetate 986.46
    acetic acid 3566.11
    dichloromethane 3087.9
    cyclohexanone 2581.06
    propylene glycol 457.48
    isopropyl acetate 980.09
    DMAc 2507.82
    2-ethoxyethanol 1360.09
    isopentanol 878.86
    n-heptane 13.41
    ethyl formate 976.98
    1,2-dichloroethane 2061.84
    n-hexanol 397.2
    2-methoxyethanol 2439.44
    isobutyl acetate 566.08
    tetrachloromethane 284.54
    n-pentyl acetate 471.74
    transcutol 5001.35
    n-heptanol 148.33
    ethylbenzene 241.09
    MIBK 771.95
    2-propoxyethanol 919.37
    tert-butanol 1598.32
    MTBE 1102.76
    2-butoxyethanol 467.48
    propionic acid 1527.47
    o-xylene 297.19
    formic acid 1165.78
    diethyl ether 1154.54
    m-xylene 305.63
    p-xylene 324.86
    chlorobenzene 834.21
    dimethyl carbonate 424.42
    n-octane 6.44
    formamide 2136.2
    cyclopentanone 2974.8
    2-pentanone 1516.19
    anisole 680.81
    cyclopentyl methyl ether 1175.13
    gamma-butyrolactone 3446.68
    1-methoxy-2-propanol 1536.01
    pyridine 1908.2
    3-pentanone 893.66
    furfural 2625.35
    n-dodecane 6.28
    diethylene glycol 756.49
    diisopropyl ether 216.97
    tert-amyl alcohol 1123.17
    acetylacetone 2013.73
    n-hexadecane 7.68
    acetophenone 744.25
    methyl propionate 1170.4
    isopentyl acetate 702.06
    trichloroethylene 4208.49
    n-nonanol 151.48
    cyclohexanol 952.17
    benzyl alcohol 624.29
    2-ethylhexanol 229.71
    isooctanol 134.2
    dipropyl ether 267.55
    1,2-dichlorobenzene 783.82
    ethyl lactate 358.07
    propylene carbonate 1417.39
    n-methylformamide 2113.55
    2-pentanol 587.37
    n-pentane 29.87
    1-propoxy-2-propanol 623.18
    1-methoxy-2-propyl acetate 835.04
    2-(2-methoxypropoxy) propanol 570.66
    mesitylene 172.75
    ε-caprolactone 2086.34
    p-cymene 107.41
    epichlorohydrin 3131.93
    1,1,1-trichloroethane 1520.82
    2-aminoethanol 744.09
    morpholine-4-carbaldehyde 2470.06
    sulfolane 3924.88
    2,2,4-trimethylpentane 28.03
    2-methyltetrahydrofuran 2013.06
    n-hexyl acetate 629.35
    isooctane 19.25
    2-(2-butoxyethoxy)ethanol 841.36
    sec-butyl acetate 607.75
    tert-butyl acetate 1006.92
    decalin 49.23
    glycerin 677.72
    diglyme 1690.32
    acrylic acid 1338.77
    isopropyl myristate 168.85
    n-butyric acid 2026.34
    acetyl acetate 1145.02
    di(2-ethylhexyl) phthalate 210.12
    ethyl propionate 757.09
    nitromethane 6119.51
    1,2-diethoxyethane 951.42
    benzonitrile 933.18
    trioctyl phosphate 124.62
    1-bromopropane 826.76
    gamma-valerolactone 3427.9
    n-decanol 97.38
    triethyl phosphate 233.77
    4-methyl-2-pentanol 297.47
    propionitrile 1136.15
    vinylene carbonate 1262.27
    1,1,2-trichlorotrifluoroethane 2111.86
    DMS 633.99
    cumene 148.64
    2-octanol 109.84
    2-hexanone 953.86
    octyl acetate 227.03
    limonene 182.26
    1,2-dimethoxyethane 2042.5
    ethyl orthosilicate 217.8
    tributyl phosphate 211.58
    diacetone alcohol 1097.79
    N,N-dimethylaniline 399.6
    acrylonitrile 1530.18
    aniline 884.28
    1,3-propanediol 1090.86
    bromobenzene 845.56
    dibromomethane 1749.01
    1,1,2,2-tetrachloroethane 3131.2
    2-methyl-cyclohexyl acetate 405.71
    tetrabutyl urea 263.79
    diisobutyl methanol 131.16
    2-phenylethanol 422.82
    styrene 379.1
    dioctyl adipate 342.62
    dimethyl sulfate 890.72
    ethyl butyrate 532.5
    methyl lactate 532.74
    butyl lactate 423.25
    diethyl carbonate 349.54
    propanediol butyl ether 596.28
    triethyl orthoformate 332.21
    p-tert-butyltoluene 101.68
    methyl 4-tert-butylbenzoate 450.15
    morpholine 2859.43
    tert-butylamine 750.23
    n-dodecanol 66.61
    dimethoxymethane 1374.05
    ethylene carbonate 1030.99
    cyrene 588.87
    2-ethoxyethyl acetate 760.46
    2-ethylhexyl acetate 505.61
    1,2,4-trichlorobenzene 971.01
    4-methylpyridine 1992.5
    dibutyl ether 308.41
    2,6-dimethyl-4-heptanol 131.16
    DEF 1827.74
    dimethyl isosorbide 930.9
    tetrachloroethylene 1866.93
    eugenol 454.48
    triacetin 752.29
    span 80 494.28
    1,4-butanediol 372.21
    1,1-dichloroethane 1888.34
    2-methyl-1-pentanol 617.08
    methyl formate 1271.56
    2-methyl-1-butanol 771.82
    n-decane 11.8
    butyronitrile 1156.03
    3,7-dimethyl-1-octanol 209.37
    1-chlorooctane 101.77
    1-chlorotetradecane 32.21
    n-nonane 10.87
    undecane 8.12
    tert-butylcyclohexane 41.57
    cyclooctane 16.01
    cyclopentanol 1080.47
    tetrahydropyran 1854.38
    tert-amyl methyl ether 725.78
    2,5,8-trioxanonane 1033.25
    1-hexene 291.15
    2-isopropoxyethanol 808.53
    2,2,2-trifluoroethanol 835.19
    methyl butyrate 1166.63

    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