Isopropyl glyoxal

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  • Identifiers

    CAS number
    18556-89-3

    Molecular formula
    C5H8O2

    SMILES
    CC(C)C(=O)C=O

  • Odor profile

    Fragrance
    Fruity 68.0%
    Caramellic 61.57%
    Buttery 55.53%
    Sweet 48.78%
    Pungent 46.19%
    Ethereal 42.73%
    Cheesy 39.13%
    Fatty 39.11%
    Nutty 38.9%
    Creamy 37.29%

     

    Flavor
    Sweet 52.31%
    Caramel 46.77%
    Fruity 46.6%
    Creamy 45.87%
    Butter 43.97%
    Buttery 39.59%
    Pungent 38.24%
    Cheese 33.09%
    Nutty 31.72%
    Brown 30.46%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.6

    pKa est.
    6.7 (neutral)

    Molecular weight
    100.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    151°C

    Flash point

    • 32.01 ˚C est.

  • Synonyms

    • 3-methyl-2-oxobutanal
    • isopropyl glyoxal
    • 18556-89-3
    • SCHEMBL1697572
    • AKOS018293284
    • EN300-101046
    • G90799

  • Applications

    Isopropyl glyoxal (CAS 18556-89-3) is an aldehyde-derived intermediate used in organic synthesis; it also serves as a crosslinking agent for polymers, coatings, and adhesives, helping to improve durability and processability of resin systems. It is also regarded as a resin precursor for coatings and plastics applications. It acts as a functionalization reagent to introduce aldehyde functionality into polymer chains to tune properties. Additionally, it has been studied for electronic applications, such as components in photoresist formulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 80.66
    methanol 113.74
    isopropanol 46.09
    water 15.31
    ethyl acetate 78.34
    n-propanol 57.18
    acetone 112.92
    n-butanol 47.49
    acetonitrile 104.04
    DMF 116.67
    toluene 12.29
    isobutanol 43.95
    1,4-dioxane 109.03
    methyl acetate 109.19
    THF 125.37
    2-butanone 93.72
    n-pentanol 39.87
    sec-butanol 53.8
    n-hexane 6.21
    ethylene glycol 52.37
    NMP 272.48
    cyclohexane 9.23
    DMSO 141.25
    n-butyl acetate 92.9
    n-octanol 45.47
    chloroform 249.74
    n-propyl acetate 56.98
    acetic acid 398.55
    dichloromethane 203.83
    cyclohexanone 153.53
    propylene glycol 42.72
    isopropyl acetate 42.27
    DMAc 126.57
    2-ethoxyethanol 79.44
    isopentanol 45.55
    n-heptane 6.22
    ethyl formate 78.09
    1,2-dichloroethane 111.11
    n-hexanol 60.42
    2-methoxyethanol 117.27
    isobutyl acetate 34.33
    tetrachloromethane 43.64
    n-pentyl acetate 61.83
    transcutol 339.5
    n-heptanol 42.37
    ethylbenzene 19.88
    MIBK 37.56
    2-propoxyethanol 97.49
    tert-butanol 69.9
    MTBE 40.07
    2-butoxyethanol 75.0
    propionic acid 190.65
    o-xylene 23.21
    formic acid 211.58
    diethyl ether 29.05
    m-xylene 15.61
    p-xylene 32.95
    chlorobenzene 65.94
    dimethyl carbonate 30.7
    n-octane 4.44
    formamide 237.78
    cyclopentanone 193.22
    2-pentanone 52.93
    anisole 49.36
    cyclopentyl methyl ether 49.12
    gamma-butyrolactone 305.57
    1-methoxy-2-propanol 69.22
    pyridine 98.83
    3-pentanone 48.54
    furfural 257.07
    n-dodecane 4.26
    diethylene glycol 104.08
    diisopropyl ether 13.59
    tert-amyl alcohol 76.41
    acetylacetone 90.72
    n-hexadecane 4.69
    acetophenone 75.99
    methyl propionate 61.47
    isopentyl acetate 85.53
    trichloroethylene 312.35
    n-nonanol 39.93
    cyclohexanol 61.21
    benzyl alcohol 54.41
    2-ethylhexanol 49.4
    isooctanol 37.29
    dipropyl ether 27.75
    1,2-dichlorobenzene 92.62
    ethyl lactate 48.05
    propylene carbonate 170.01
    n-methylformamide 120.5
    2-pentanol 33.8
    n-pentane 4.22
    1-propoxy-2-propanol 76.56
    1-methoxy-2-propyl acetate 79.58
    2-(2-methoxypropoxy) propanol 101.39
    mesitylene 14.19
    ε-caprolactone 159.65
    p-cymene 26.68
    epichlorohydrin 187.76
    1,1,1-trichloroethane 119.59
    2-aminoethanol 70.98
    morpholine-4-carbaldehyde 182.46
    sulfolane 337.63
    2,2,4-trimethylpentane 6.69
    2-methyltetrahydrofuran 112.84
    n-hexyl acetate 97.31
    isooctane 3.99
    2-(2-butoxyethoxy)ethanol 118.53
    sec-butyl acetate 38.13
    tert-butyl acetate 54.72
    decalin 9.34
    glycerin 79.75
    diglyme 199.33
    acrylic acid 223.7
    isopropyl myristate 35.72
    n-butyric acid 138.63
    acetyl acetate 79.62
    di(2-ethylhexyl) phthalate 46.12
    ethyl propionate 50.58
    nitromethane 440.64
    1,2-diethoxyethane 71.68
    benzonitrile 83.56
    trioctyl phosphate 33.73
    1-bromopropane 41.28
    gamma-valerolactone 212.24
    n-decanol 30.12
    triethyl phosphate 41.96
    4-methyl-2-pentanol 26.03
    propionitrile 61.68
    vinylene carbonate 166.17
    1,1,2-trichlorotrifluoroethane 225.73
    DMS 85.71
    cumene 22.17
    2-octanol 32.46
    2-hexanone 52.27
    octyl acetate 48.69
    limonene 37.5
    1,2-dimethoxyethane 92.36
    ethyl orthosilicate 36.85
    tributyl phosphate 42.13
    diacetone alcohol 85.57
    N,N-dimethylaniline 39.61
    acrylonitrile 108.09
    aniline 39.16
    1,3-propanediol 77.9
    bromobenzene 53.87
    dibromomethane 118.57
    1,1,2,2-tetrachloroethane 246.54
    2-methyl-cyclohexyl acetate 72.33
    tetrabutyl urea 50.97
    diisobutyl methanol 30.54
    2-phenylethanol 68.48
    styrene 23.35
    dioctyl adipate 62.29
    dimethyl sulfate 74.37
    ethyl butyrate 64.51
    methyl lactate 53.89
    butyl lactate 65.9
    diethyl carbonate 53.17
    propanediol butyl ether 86.72
    triethyl orthoformate 45.18
    p-tert-butyltoluene 24.15
    methyl 4-tert-butylbenzoate 92.71
    morpholine 110.01
    tert-butylamine 40.32
    n-dodecanol 23.05
    dimethoxymethane 42.94
    ethylene carbonate 108.37
    cyrene 99.53
    2-ethoxyethyl acetate 84.67
    2-ethylhexyl acetate 66.77
    1,2,4-trichlorobenzene 118.64
    4-methylpyridine 74.01
    dibutyl ether 36.35
    2,6-dimethyl-4-heptanol 30.54
    DEF 72.21
    dimethyl isosorbide 163.15
    tetrachloroethylene 192.61
    eugenol 91.79
    triacetin 107.62
    span 80 89.22
    1,4-butanediol 40.96
    1,1-dichloroethane 99.59
    2-methyl-1-pentanol 44.56
    methyl formate 108.73
    2-methyl-1-butanol 47.79
    n-decane 6.34
    butyronitrile 51.89
    3,7-dimethyl-1-octanol 48.22
    1-chlorooctane 27.43
    1-chlorotetradecane 11.99
    n-nonane 6.0
    undecane 5.07
    tert-butylcyclohexane 9.21
    cyclooctane 3.57
    cyclopentanol 82.0
    tetrahydropyran 71.15
    tert-amyl methyl ether 38.24
    2,5,8-trioxanonane 144.68
    1-hexene 19.21
    2-isopropoxyethanol 58.68
    2,2,2-trifluoroethanol 183.34
    methyl butyrate 74.98

    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