6-Keto-n-caprylic acid

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  • Identifiers

    CAS number
    4233-57-2

    Molecular formula
    C8H14O3

    SMILES
    CCC(=O)CCCCC(=O)O

    Safety labels

  • Odor profile

    Fragrance
    Fruity 48.8%
    Cheesy 42.4%
    Buttery 38.66%
    Fatty 36.8%
    Caramellic 32.54%
    Roasted 30.61%
    Milky 30.5%
    Creamy 30.28%
    Sour 29.96%
    Dairy 29.15%

     

    Flavor
    Cheese 51.74%
    Sour 39.16%
    Acidic 38.37%
    Sweat 37.76%
    Rancid 34.64%
    Butter 33.38%
    Sweet 32.77%
    Pungent 29.95%
    Caramel 29.44%
    Fatty 28.14%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    8.16 (weak base)

    Molecular weight
    158.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    290°C

    Flash point

    • 144.11 ˚C est.

  • Synonyms

    • 6-oxo-octanoic acid
    • 6-keto-n-caprylic acid
    • RefChem:1074018
    • 6-Oxooctanoic acid
    • 4233-57-2
    • Octanoic acid, 6-oxo-
    • MFCD01320160
    • 6-oxocaprylic acid
    • SCHEMBL11275177
    • DTXSID60195143
    • CHEBI:165436
    • LMFA01060020
    • AKOS006277606
    • MS-21412
    • E80286
    • AC-907/34120031
    • 4233-57-2

  • Applications

    6-Keto-n-caprylic acid (CAS 4233-57-2) is primarily used as an organic synthesis intermediate in industrial chemistry. It serves as a building block for fragrance and flavor derivatives in perfumery and flavor formulations. It is evaluated for use in cosmetics and personal care as a precursor to specialty esters and fragrance ingredients under controlled formulation. It acts as a starting material for the synthesis of specialty polymers or plasticizers and as a reagent in pharmaceutical intermediate development under appropriate regulatory controls. It also supports general process chemistry and derivatization of long-chain fatty acid derivatives in industrial manufacturing.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 551.61
    methanol 823.76
    isopropanol 401.53
    water 12.32
    ethyl acetate 83.48
    n-propanol 336.05
    acetone 382.86
    n-butanol 246.1
    acetonitrile 134.26
    DMF 1146.26
    toluene 17.71
    isobutanol 221.43
    1,4-dioxane 229.8
    methyl acetate 114.84
    THF 396.98
    2-butanone 179.26
    n-pentanol 199.61
    sec-butanol 248.58
    n-hexane 12.75
    ethylene glycol 273.94
    NMP 571.11
    cyclohexane 4.52
    DMSO 1279.67
    n-butyl acetate 81.45
    n-octanol 67.48
    chloroform 112.32
    n-propyl acetate 70.11
    acetic acid 497.74
    dichloromethane 104.19
    cyclohexanone 214.36
    propylene glycol 319.19
    isopropyl acetate 64.76
    DMAc 663.57
    2-ethoxyethanol 341.12
    isopentanol 201.78
    n-heptane 3.35
    ethyl formate 114.3
    1,2-dichloroethane 95.78
    n-hexanol 138.04
    2-methoxyethanol 578.47
    isobutyl acetate 49.8
    tetrachloromethane 20.33
    n-pentyl acetate 61.01
    transcutol 652.69
    n-heptanol 61.91
    ethylbenzene 22.03
    MIBK 97.02
    2-propoxyethanol 256.04
    tert-butanol 484.28
    MTBE 150.98
    2-butoxyethanol 136.81
    propionic acid 304.87
    o-xylene 27.54
    formic acid 381.88
    diethyl ether 74.61
    m-xylene 23.87
    p-xylene 31.56
    chlorobenzene 40.12
    dimethyl carbonate 47.18
    n-octane 2.24
    formamide 385.93
    cyclopentanone 320.09
    2-pentanone 137.66
    anisole 80.99
    cyclopentyl methyl ether 120.43
    gamma-butyrolactone 337.86
    1-methoxy-2-propanol 385.09
    pyridine 113.02
    3-pentanone 74.33
    furfural 298.82
    n-dodecane 2.24
    diethylene glycol 275.7
    diisopropyl ether 22.26
    tert-amyl alcohol 310.83
    acetylacetone 155.87
    n-hexadecane 2.53
    acetophenone 93.0
    methyl propionate 93.31
    isopentyl acetate 85.13
    trichloroethylene 163.09
    n-nonanol 55.82
    cyclohexanol 138.59
    benzyl alcohol 108.99
    2-ethylhexanol 60.53
    isooctanol 49.64
    dipropyl ether 33.13
    1,2-dichlorobenzene 50.3
    ethyl lactate 70.6
    propylene carbonate 162.39
    n-methylformamide 480.0
    2-pentanol 135.13
    n-pentane 5.57
    1-propoxy-2-propanol 153.29
    1-methoxy-2-propyl acetate 101.59
    2-(2-methoxypropoxy) propanol 165.34
    mesitylene 19.17
    ε-caprolactone 186.95
    p-cymene 17.46
    epichlorohydrin 282.36
    1,1,1-trichloroethane 67.51
    2-aminoethanol 452.54
    morpholine-4-carbaldehyde 427.57
    sulfolane 546.45
    2,2,4-trimethylpentane 6.41
    2-methyltetrahydrofuran 215.29
    n-hexyl acetate 102.98
    isooctane 4.8
    2-(2-butoxyethoxy)ethanol 223.07
    sec-butyl acetate 47.19
    tert-butyl acetate 101.05
    decalin 6.97
    glycerin 396.57
    diglyme 318.57
    acrylic acid 284.14
    isopropyl myristate 32.93
    n-butyric acid 246.36
    acetyl acetate 57.19
    di(2-ethylhexyl) phthalate 54.77
    ethyl propionate 58.88
    nitromethane 513.61
    1,2-diethoxyethane 103.77
    benzonitrile 86.06
    trioctyl phosphate 36.8
    1-bromopropane 47.74
    gamma-valerolactone 393.61
    n-decanol 38.91
    triethyl phosphate 36.39
    4-methyl-2-pentanol 79.47
    propionitrile 101.89
    vinylene carbonate 136.85
    1,1,2-trichlorotrifluoroethane 292.64
    DMS 71.03
    cumene 21.88
    2-octanol 42.94
    2-hexanone 107.9
    octyl acetate 47.43
    limonene 25.32
    1,2-dimethoxyethane 369.41
    ethyl orthosilicate 35.31
    tributyl phosphate 47.41
    diacetone alcohol 214.71
    N,N-dimethylaniline 72.74
    acrylonitrile 149.8
    aniline 71.61
    1,3-propanediol 430.19
    bromobenzene 30.16
    dibromomethane 68.34
    1,1,2,2-tetrachloroethane 165.6
    2-methyl-cyclohexyl acetate 61.12
    tetrabutyl urea 65.84
    diisobutyl methanol 34.59
    2-phenylethanol 85.01
    styrene 26.22
    dioctyl adipate 63.19
    dimethyl sulfate 140.75
    ethyl butyrate 50.12
    methyl lactate 121.06
    butyl lactate 86.98
    diethyl carbonate 35.96
    propanediol butyl ether 203.28
    triethyl orthoformate 41.42
    p-tert-butyltoluene 17.94
    methyl 4-tert-butylbenzoate 97.99
    morpholine 348.56
    tert-butylamine 201.07
    n-dodecanol 27.03
    dimethoxymethane 225.64
    ethylene carbonate 102.58
    cyrene 154.14
    2-ethoxyethyl acetate 92.95
    2-ethylhexyl acetate 57.72
    1,2,4-trichlorobenzene 65.65
    4-methylpyridine 128.7
    dibutyl ether 41.46
    2,6-dimethyl-4-heptanol 34.59
    DEF 201.6
    dimethyl isosorbide 199.07
    tetrachloroethylene 105.68
    eugenol 113.49
    triacetin 101.17
    span 80 135.69
    1,4-butanediol 209.55
    1,1-dichloroethane 79.26
    2-methyl-1-pentanol 163.88
    methyl formate 246.6
    2-methyl-1-butanol 179.17
    n-decane 3.78
    butyronitrile 112.41
    3,7-dimethyl-1-octanol 65.14
    1-chlorooctane 21.16
    1-chlorotetradecane 8.02
    n-nonane 3.58
    undecane 2.81
    tert-butylcyclohexane 8.78
    cyclooctane 1.84
    cyclopentanol 217.23
    tetrahydropyran 147.19
    tert-amyl methyl ether 104.04
    2,5,8-trioxanonane 237.64
    1-hexene 48.13
    2-isopropoxyethanol 203.16
    2,2,2-trifluoroethanol 161.38
    methyl butyrate 98.94

    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