Ethyl 7-oxododecanoate

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  • Identifiers

    CAS number
    58262-36-5

    Molecular formula
    C14H26O3

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

  • Odor profile

    Fragrance
    Fruity 79.06%
    Fatty 38.77%
    Oily 37.87%
    Peach 33.06%
    Winey 30.54%
    Waxy 30.0%
    Herbal 28.99%
    Buttery 27.89%
    Lactonic 27.56%
    Pineapple 26.71%

     

    Flavor
    Fruity 76.76%
    Pineapple 49.63%
    Sweet 42.42%
    Tropical 37.78%
    Waxy 35.91%
    Cheese 34.36%
    Berry 33.56%
    Fruit 33.4%
    Oily 31.77%
    Green 31.46%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    7.94 (neutral)

    Molecular weight
    242.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    306°C

    Flash point

    • 131.87 ˚C est.

  • Synonyms

    • ETHYL 7-OXODODECANOATE
    • 58262-36-5
    • MFCD01311675
    • ETHYL7-OXODODECANOATE
    • DTXSID50557993
    • AKOS016022962
    • DB-230450

  • Applications

    Ethyl 7-oxododecanoate (CAS 58262-36-5) is commonly evaluated as a fragrance ingredient and fragrance intermediate in perfumery and cosmetics, acting as a scent component or fixative in formulations; it may be considered as an aroma precursor for fragrance-related applications; in industrial manufacturing, it is used as an intermediate for the synthesis of specialty chemicals; it may be incorporated into fragrance systems for household products such as cleaners and detergents.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2478.22
    methanol 3725.08
    isopropanol 1713.54
    water 0.4
    ethyl acetate 1554.55
    n-propanol 1397.35
    acetone 2736.44
    n-butanol 1197.79
    acetonitrile 1615.63
    DMF 1776.83
    toluene 475.49
    isobutanol 960.51
    1,4-dioxane 2258.96
    methyl acetate 1050.39
    THF 2726.46
    2-butanone 1405.58
    n-pentanol 813.89
    sec-butanol 1071.11
    n-hexane 61.77
    ethylene glycol 144.99
    NMP 1372.73
    cyclohexane 187.54
    DMSO 2427.79
    n-butyl acetate 837.33
    n-octanol 275.74
    chloroform 2792.32
    n-propyl acetate 971.13
    acetic acid 1648.0
    dichloromethane 2950.32
    cyclohexanone 2337.68
    propylene glycol 293.38
    isopropyl acetate 1014.36
    DMAc 1460.74
    2-ethoxyethanol 1169.97
    isopentanol 958.79
    n-heptane 31.71
    ethyl formate 925.71
    1,2-dichloroethane 1662.61
    n-hexanol 524.33
    2-methoxyethanol 1853.16
    isobutyl acetate 592.8
    tetrachloromethane 269.74
    n-pentyl acetate 633.27
    transcutol 2990.89
    n-heptanol 228.17
    ethylbenzene 257.07
    MIBK 723.92
    2-propoxyethanol 889.99
    tert-butanol 1592.96
    MTBE 1089.43
    2-butoxyethanol 546.92
    propionic acid 857.17
    o-xylene 269.61
    formic acid 378.58
    diethyl ether 1146.7
    m-xylene 285.76
    p-xylene 375.54
    chlorobenzene 761.08
    dimethyl carbonate 236.05
    n-octane 21.12
    formamide 587.63
    cyclopentanone 2015.32
    2-pentanone 1262.28
    anisole 542.44
    cyclopentyl methyl ether 1039.34
    gamma-butyrolactone 2062.14
    1-methoxy-2-propanol 1195.61
    pyridine 1680.53
    3-pentanone 661.89
    furfural 1489.22
    n-dodecane 21.51
    diethylene glycol 563.31
    diisopropyl ether 237.59
    tert-amyl alcohol 1027.08
    acetylacetone 1315.47
    n-hexadecane 25.02
    acetophenone 561.28
    methyl propionate 753.67
    isopentyl acetate 737.26
    trichloroethylene 2614.97
    n-nonanol 239.97
    cyclohexanol 1142.1
    benzyl alcohol 546.87
    2-ethylhexanol 291.94
    isooctanol 197.62
    dipropyl ether 372.23
    1,2-dichlorobenzene 625.85
    ethyl lactate 306.94
    propylene carbonate 1040.72
    n-methylformamide 945.34
    2-pentanol 668.61
    n-pentane 45.97
    1-propoxy-2-propanol 663.38
    1-methoxy-2-propyl acetate 700.02
    2-(2-methoxypropoxy) propanol 473.52
    mesitylene 178.73
    ε-caprolactone 1846.07
    p-cymene 133.22
    epichlorohydrin 2260.09
    1,1,1-trichloroethane 1344.51
    2-aminoethanol 484.61
    morpholine-4-carbaldehyde 1483.87
    sulfolane 1846.27
    2,2,4-trimethylpentane 34.11
    2-methyltetrahydrofuran 1915.53
    n-hexyl acetate 772.13
    isooctane 24.24
    2-(2-butoxyethoxy)ethanol 740.88
    sec-butyl acetate 604.94
    tert-butyl acetate 907.54
    decalin 76.98
    glycerin 339.2
    diglyme 1531.53
    acrylic acid 538.07
    isopropyl myristate 238.02
    n-butyric acid 1760.24
    acetyl acetate 875.63
    di(2-ethylhexyl) phthalate 221.75
    ethyl propionate 699.82
    nitromethane 2549.29
    1,2-diethoxyethane 962.56
    benzonitrile 792.8
    trioctyl phosphate 161.27
    1-bromopropane 951.71
    gamma-valerolactone 2572.09
    n-decanol 162.77
    triethyl phosphate 223.92
    4-methyl-2-pentanol 319.46
    propionitrile 1027.44
    vinylene carbonate 911.4
    1,1,2-trichlorotrifluoroethane 1110.9
    DMS 465.91
    cumene 159.11
    2-octanol 191.56
    2-hexanone 876.61
    octyl acetate 310.55
    limonene 233.58
    1,2-dimethoxyethane 2060.74
    ethyl orthosilicate 222.38
    tributyl phosphate 222.97
    diacetone alcohol 845.63
    N,N-dimethylaniline 316.03
    acrylonitrile 1074.99
    aniline 608.74
    1,3-propanediol 884.44
    bromobenzene 828.97
    dibromomethane 1832.87
    1,1,2,2-tetrachloroethane 2121.16
    2-methyl-cyclohexyl acetate 413.98
    tetrabutyl urea 280.97
    diisobutyl methanol 173.57
    2-phenylethanol 404.83
    styrene 370.59
    dioctyl adipate 387.98
    dimethyl sulfate 353.14
    ethyl butyrate 589.34
    methyl lactate 311.53
    butyl lactate 434.12
    diethyl carbonate 356.66
    propanediol butyl ether 521.99
    triethyl orthoformate 361.69
    p-tert-butyltoluene 122.01
    methyl 4-tert-butylbenzoate 441.14
    morpholine 2739.37
    tert-butylamine 782.17
    n-dodecanol 119.14
    dimethoxymethane 1049.44
    ethylene carbonate 912.09
    cyrene 445.69
    2-ethoxyethyl acetate 751.99
    2-ethylhexyl acetate 522.59
    1,2,4-trichlorobenzene 678.37
    4-methylpyridine 1567.0
    dibutyl ether 484.31
    2,6-dimethyl-4-heptanol 173.57
    DEF 1197.52
    dimethyl isosorbide 753.88
    tetrachloroethylene 1365.86
    eugenol 422.3
    triacetin 670.66
    span 80 484.96
    1,4-butanediol 340.12
    1,1-dichloroethane 1761.7
    2-methyl-1-pentanol 617.4
    methyl formate 617.57
    2-methyl-1-butanol 804.77
    n-decane 38.94
    butyronitrile 1316.67
    3,7-dimethyl-1-octanol 262.95
    1-chlorooctane 196.92
    1-chlorotetradecane 69.37
    n-nonane 35.98
    undecane 27.31
    tert-butylcyclohexane 60.45
    cyclooctane 34.74
    cyclopentanol 1119.43
    tetrahydropyran 2468.66
    tert-amyl methyl ether 614.22
    2,5,8-trioxanonane 931.42
    1-hexene 361.04
    2-isopropoxyethanol 717.75
    2,2,2-trifluoroethanol 320.94
    methyl butyrate 1151.18

    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