7-Oxooctanoic acid

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  • Identifiers

    CAS number
    14112-98-2

    Molecular formula
    C8H14O3

    SMILES
    CC(=O)CCCCCC(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 61.2%
    Caramellic 42.32%
    Cheesy 40.63%
    Fatty 37.11%
    Buttery 36.72%
    Creamy 35.51%
    Sweet 34.97%
    Dairy 31.59%
    Milky 30.8%
    Sour 28.65%

     

    Flavor
    Cheese 54.85%
    Sweat 41.37%
    Sour 40.65%
    Fruity 38.38%
    Sweet 38.24%
    Fatty 37.44%
    Acidic 37.04%
    Rancid 36.92%
    Butter 33.37%
    Animal 30.3%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    8.12 (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

    • 133.9 ˚C est.

  • Synonyms

    • 7-OXOOCTANOIC ACID
    • 14112-98-2
    • 7-Ketooctanoic acid
    • DTXSID10161575
    • RefChem:546623
    • DTXCID0084066
    • 237-967-5
    • Octanoic acid, 7-oxo-
    • 7-keto-n-caprylic acid
    • MFCD00075271
    • 7-OXOOCTANOICACID
    • 7-oxo-octanoic acid
    • EINECS 237-967-5
    • 7-Oxooctanoic acid #
    • 7-Oxooctanoic acid, 98%
    • SCHEMBL561614
    • CHEBI:180339
    • GEO-02923
    • LMFA01060021
    • AKOS015894268
    • AS-57566
    • SY273945
    • CS-0046839
    • NS00024578
    • W15940
    • F609306
    • 14112-98-2

  • Applications

    7-Oxooctanoic acid (CAS 14112-98-2) is primarily used as a versatile intermediate in organic synthesis, enabling the preparation of esters, amides, and other carbonyl-containing compounds; it also serves as a building block for specialty polymers (polyesters and related materials) and as a precursor in polymer additive synthesis. In fragrance and cosmetics, it is used as a reactive intermediate for aroma compound synthesis and formulation components; in pharmaceutical and agrochemical development it is evaluated as an intermediate for various active ingredients. Additionally, it can find use in coatings and inks as a precursor for esters and related additives, and in cleaning formulations as a reactive intermediate for surfactants and esters, with applications subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 988.99
    methanol 1511.76
    isopropanol 716.21
    water 52.42
    ethyl acetate 181.68
    n-propanol 492.6
    acetone 621.75
    n-butanol 414.56
    acetonitrile 162.96
    DMF 1235.24
    toluene 21.2
    isobutanol 320.39
    1,4-dioxane 530.18
    methyl acetate 164.55
    THF 848.12
    2-butanone 191.43
    n-pentanol 277.19
    sec-butanol 324.4
    n-hexane 7.83
    ethylene glycol 511.25
    NMP 574.16
    cyclohexane 4.76
    DMSO 884.01
    n-butyl acetate 100.13
    n-octanol 138.2
    chloroform 70.81
    n-propyl acetate 101.66
    acetic acid 914.77
    dichloromethane 68.42
    cyclohexanone 293.49
    propylene glycol 683.71
    isopropyl acetate 142.6
    DMAc 612.84
    2-ethoxyethanol 594.2
    isopentanol 291.64
    n-heptane 5.82
    ethyl formate 188.63
    1,2-dichloroethane 56.38
    n-hexanol 219.72
    2-methoxyethanol 1167.91
    isobutyl acetate 74.85
    tetrachloromethane 10.33
    n-pentyl acetate 90.87
    transcutol 1014.89
    n-heptanol 121.22
    ethylbenzene 21.25
    MIBK 145.95
    2-propoxyethanol 496.41
    tert-butanol 734.37
    MTBE 142.88
    2-butoxyethanol 263.52
    propionic acid 429.22
    o-xylene 28.44
    formic acid 612.21
    diethyl ether 96.24
    m-xylene 34.02
    p-xylene 29.39
    chlorobenzene 32.56
    dimethyl carbonate 71.3
    n-octane 4.56
    formamide 600.24
    cyclopentanone 441.61
    2-pentanone 209.25
    anisole 95.56
    cyclopentyl methyl ether 194.63
    gamma-butyrolactone 561.02
    1-methoxy-2-propanol 823.14
    pyridine 121.46
    3-pentanone 78.45
    furfural 378.34
    n-dodecane 6.04
    diethylene glycol 527.81
    diisopropyl ether 34.7
    tert-amyl alcohol 361.54
    acetylacetone 277.51
    n-hexadecane 6.54
    acetophenone 94.52
    methyl propionate 151.97
    isopentyl acetate 100.53
    trichloroethylene 101.43
    n-nonanol 117.92
    cyclohexanol 240.37
    benzyl alcohol 136.52
    2-ethylhexanol 86.4
    isooctanol 87.75
    dipropyl ether 64.93
    1,2-dichlorobenzene 33.88
    ethyl lactate 110.94
    propylene carbonate 237.6
    n-methylformamide 630.64
    2-pentanol 223.45
    n-pentane 5.36
    1-propoxy-2-propanol 306.62
    1-methoxy-2-propyl acetate 167.26
    2-(2-methoxypropoxy) propanol 232.58
    mesitylene 26.69
    ε-caprolactone 265.9
    p-cymene 20.74
    epichlorohydrin 369.51
    1,1,1-trichloroethane 43.3
    2-aminoethanol 766.84
    morpholine-4-carbaldehyde 665.08
    sulfolane 561.49
    2,2,4-trimethylpentane 5.53
    2-methyltetrahydrofuran 342.64
    n-hexyl acetate 161.61
    isooctane 6.43
    2-(2-butoxyethoxy)ethanol 385.07
    sec-butyl acetate 69.37
    tert-butyl acetate 173.67
    decalin 7.02
    glycerin 807.07
    diglyme 497.94
    acrylic acid 338.86
    isopropyl myristate 63.28
    n-butyric acid 474.53
    acetyl acetate 112.37
    di(2-ethylhexyl) phthalate 69.69
    ethyl propionate 94.12
    nitromethane 786.59
    1,2-diethoxyethane 172.51
    benzonitrile 99.82
    trioctyl phosphate 60.13
    1-bromopropane 29.01
    gamma-valerolactone 686.23
    n-decanol 88.09
    triethyl phosphate 43.48
    4-methyl-2-pentanol 130.68
    propionitrile 124.28
    vinylene carbonate 178.12
    1,1,2-trichlorotrifluoroethane 311.04
    DMS 95.52
    cumene 22.91
    2-octanol 83.8
    2-hexanone 120.84
    octyl acetate 88.2
    limonene 29.82
    1,2-dimethoxyethane 577.69
    ethyl orthosilicate 44.52
    tributyl phosphate 67.67
    diacetone alcohol 373.64
    N,N-dimethylaniline 79.07
    acrylonitrile 172.38
    aniline 89.11
    1,3-propanediol 834.29
    bromobenzene 22.57
    dibromomethane 39.47
    1,1,2,2-tetrachloroethane 102.14
    2-methyl-cyclohexyl acetate 73.46
    tetrabutyl urea 97.89
    diisobutyl methanol 59.11
    2-phenylethanol 112.67
    styrene 24.03
    dioctyl adipate 95.82
    dimethyl sulfate 129.6
    ethyl butyrate 77.59
    methyl lactate 210.94
    butyl lactate 123.01
    diethyl carbonate 49.59
    propanediol butyl ether 375.67
    triethyl orthoformate 63.51
    p-tert-butyltoluene 22.48
    methyl 4-tert-butylbenzoate 133.24
    morpholine 685.33
    tert-butylamine 263.08
    n-dodecanol 64.76
    dimethoxymethane 454.06
    ethylene carbonate 158.38
    cyrene 200.58
    2-ethoxyethyl acetate 131.08
    2-ethylhexyl acetate 65.29
    1,2,4-trichlorobenzene 46.4
    4-methylpyridine 145.47
    dibutyl ether 86.69
    2,6-dimethyl-4-heptanol 59.11
    DEF 251.22
    dimethyl isosorbide 312.07
    tetrachloroethylene 58.22
    eugenol 159.37
    triacetin 151.18
    span 80 225.72
    1,4-butanediol 336.73
    1,1-dichloroethane 56.47
    2-methyl-1-pentanol 187.83
    methyl formate 383.26
    2-methyl-1-butanol 228.59
    n-decane 8.81
    butyronitrile 162.01
    3,7-dimethyl-1-octanol 103.23
    1-chlorooctane 35.08
    1-chlorotetradecane 16.78
    n-nonane 7.85
    undecane 7.09
    tert-butylcyclohexane 9.04
    cyclooctane 2.8
    cyclopentanol 378.1
    tetrahydropyran 261.78
    tert-amyl methyl ether 103.72
    2,5,8-trioxanonane 388.55
    1-hexene 32.7
    2-isopropoxyethanol 318.62
    2,2,2-trifluoroethanol 238.7
    methyl butyrate 146.8

    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