5-Oxododecanoic acid

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  • Identifiers

    CAS number
    3637-16-9

    Molecular formula
    C12H22O3

    SMILES
    CCCCCCCC(=O)CCCC(=O)O

  • Odor profile

    Fragrance
    Fatty 57.24%
    Dairy 37.81%
    Milky 36.71%
    Cheesy 35.6%
    Waxy 34.78%
    Lactonic 33.77%
    Peach 31.88%
    Creamy 31.73%
    Buttery 30.71%
    Savory 30.53%

     

    Flavor
    Cheese 47.22%
    Fatty 46.02%
    Fruity 35.58%
    Oily 34.91%
    Waxy 33.33%
    Sour 33.25%
    Sweat 32.75%
    Rancid 29.13%
    Cheesy 26.19%
    Odorless 25.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.0

    pKa est.
    7.52 (neutral)

    Molecular weight
    214.3 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    332°C

    Flash point

    • 163.73 ˚C est.

    Solubility expt.

    • Very slightly soluble in water
    • Soluble (in ethanol)

  • Synonyms

    • 5-oxododecanoic Acid
    • 5-Oxolauric acid
    • 3637-16-9
    • Dodecanoic acid, 5-oxo-
    • FEMA No. 4458
    • UNII-EMY87W56WG
    • EMY87W56WG
    • DTXSID50189894
    • SCHEMBL7708163
    • DTXCID10112385
    • CHEBI:180015
    • LMFA01060183
    • AKOS003238377
    • G69158
    • Q27277251

  • Applications

    5-Oxododecanoic acid is primarily used as an intermediate in organic synthesis, providing a beta-keto carboxylic acid building block for derivatives that feed into polymers/plastics and coatings/inks chemistries; it can serve as a precursor for fragrance or flavor compounds and may be used to form esters or other specialty chemicals, including components for lubricants or plasticizers; in industrial research and development, its long-chain structure makes it a candidate for formulation studies subject to regulatory controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1404.24
    methanol 2270.47
    isopropanol 962.18
    water 0.43
    ethyl acetate 585.11
    n-propanol 740.46
    acetone 1479.2
    n-butanol 611.54
    acetonitrile 342.9
    DMF 2198.84
    toluene 77.38
    isobutanol 521.02
    1,4-dioxane 660.51
    methyl acetate 347.56
    THF 1695.23
    2-butanone 569.61
    n-pentanol 479.58
    sec-butanol 505.06
    n-hexane 38.08
    ethylene glycol 190.21
    NMP 1357.48
    cyclohexane 19.8
    DMSO 3562.95
    n-butyl acetate 462.1
    n-octanol 144.35
    chloroform 389.66
    n-propyl acetate 460.98
    acetic acid 920.89
    dichloromethane 431.11
    cyclohexanone 911.47
    propylene glycol 367.93
    isopropyl acetate 484.81
    DMAc 1126.72
    2-ethoxyethanol 786.49
    isopentanol 558.27
    n-heptane 9.62
    ethyl formate 307.52
    1,2-dichloroethane 408.75
    n-hexanol 344.45
    2-methoxyethanol 1360.33
    isobutyl acetate 324.91
    tetrachloromethane 46.83
    n-pentyl acetate 282.55
    transcutol 3014.64
    n-heptanol 146.07
    ethylbenzene 75.5
    MIBK 488.14
    2-propoxyethanol 701.59
    tert-butanol 1070.35
    MTBE 546.65
    2-butoxyethanol 371.43
    propionic acid 553.43
    o-xylene 89.21
    formic acid 357.45
    diethyl ether 427.81
    m-xylene 100.71
    p-xylene 98.09
    chlorobenzene 146.97
    dimethyl carbonate 145.71
    n-octane 5.2
    formamide 584.82
    cyclopentanone 1185.98
    2-pentanone 736.19
    anisole 232.08
    cyclopentyl methyl ether 640.78
    gamma-butyrolactone 1217.35
    1-methoxy-2-propanol 1203.28
    pyridine 350.82
    3-pentanone 323.3
    furfural 764.26
    n-dodecane 4.95
    diethylene glycol 533.78
    diisopropyl ether 135.82
    tert-amyl alcohol 633.45
    acetylacetone 856.66
    n-hexadecane 5.82
    acetophenone 271.46
    methyl propionate 416.66
    isopentyl acetate 437.35
    trichloroethylene 662.1
    n-nonanol 126.4
    cyclohexanol 455.97
    benzyl alcohol 246.28
    2-ethylhexanol 185.58
    isooctanol 129.11
    dipropyl ether 198.84
    1,2-dichlorobenzene 167.6
    ethyl lactate 212.32
    propylene carbonate 553.28
    n-methylformamide 797.04
    2-pentanol 416.6
    n-pentane 14.85
    1-propoxy-2-propanol 547.02
    1-methoxy-2-propyl acetate 500.56
    2-(2-methoxypropoxy) propanol 391.9
    mesitylene 74.06
    ε-caprolactone 742.18
    p-cymene 50.3
    epichlorohydrin 1017.24
    1,1,1-trichloroethane 250.88
    2-aminoethanol 549.21
    morpholine-4-carbaldehyde 1093.53
    sulfolane 1793.55
    2,2,4-trimethylpentane 16.0
    2-methyltetrahydrofuran 873.37
    n-hexyl acetate 379.45
    isooctane 15.03
    2-(2-butoxyethoxy)ethanol 610.09
    sec-butyl acetate 313.9
    tert-butyl acetate 567.73
    decalin 24.2
    glycerin 477.09
    diglyme 1049.99
    acrylic acid 410.59
    isopropyl myristate 114.93
    n-butyric acid 876.56
    acetyl acetate 307.18
    di(2-ethylhexyl) phthalate 131.55
    ethyl propionate 336.38
    nitromethane 1337.42
    1,2-diethoxyethane 554.16
    benzonitrile 238.96
    trioctyl phosphate 91.2
    1-bromopropane 198.67
    gamma-valerolactone 1411.85
    n-decanol 87.67
    triethyl phosphate 125.35
    4-methyl-2-pentanol 244.27
    propionitrile 254.53
    vinylene carbonate 401.9
    1,1,2-trichlorotrifluoroethane 737.87
    DMS 268.78
    cumene 65.01
    2-octanol 99.57
    2-hexanone 503.6
    octyl acetate 150.25
    limonene 88.46
    1,2-dimethoxyethane 1055.15
    ethyl orthosilicate 125.1
    tributyl phosphate 134.29
    diacetone alcohol 738.88
    N,N-dimethylaniline 177.22
    acrylonitrile 312.34
    aniline 211.0
    1,3-propanediol 718.32
    bromobenzene 136.11
    dibromomethane 269.22
    1,1,2,2-tetrachloroethane 608.64
    2-methyl-cyclohexyl acetate 236.95
    tetrabutyl urea 174.47
    diisobutyl methanol 107.49
    2-phenylethanol 218.84
    styrene 93.2
    dioctyl adipate 214.02
    dimethyl sulfate 371.73
    ethyl butyrate 273.78
    methyl lactate 302.77
    butyl lactate 283.13
    diethyl carbonate 158.28
    propanediol butyl ether 467.64
    triethyl orthoformate 189.01
    p-tert-butyltoluene 52.05
    methyl 4-tert-butylbenzoate 262.19
    morpholine 1113.3
    tert-butylamine 502.13
    n-dodecanol 59.99
    dimethoxymethane 848.31
    ethylene carbonate 360.99
    cyrene 349.98
    2-ethoxyethyl acetate 408.99
    2-ethylhexyl acetate 290.5
    1,2,4-trichlorobenzene 209.81
    4-methylpyridine 417.83
    dibutyl ether 198.9
    2,6-dimethyl-4-heptanol 107.49
    DEF 768.52
    dimethyl isosorbide 603.78
    tetrachloroethylene 347.87
    eugenol 259.71
    triacetin 409.97
    span 80 352.01
    1,4-butanediol 284.89
    1,1-dichloroethane 314.53
    2-methyl-1-pentanol 391.74
    methyl formate 397.81
    2-methyl-1-butanol 450.99
    n-decane 9.13
    butyronitrile 354.12
    3,7-dimethyl-1-octanol 166.32
    1-chlorooctane 65.7
    1-chlorotetradecane 21.27
    n-nonane 8.59
    undecane 6.39
    tert-butylcyclohexane 25.52
    cyclooctane 7.17
    cyclopentanol 573.63
    tetrahydropyran 694.14
    tert-amyl methyl ether 375.39
    2,5,8-trioxanonane 657.72
    1-hexene 187.23
    2-isopropoxyethanol 553.33
    2,2,2-trifluoroethanol 219.8
    methyl butyrate 501.7

    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