4-Hydroxyphenylglyoxal Diisoamyl Acetal

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  • Identifiers

    Molecular formula
    C18H28O4

    SMILES
    CC(C)CCOC(C=O)(C1=CC=C(C=C1)O)OCCC(C)C

  • Odor profile

    Fragrance
    Sweet 61.38%
    Herbal 39.81%
    Floral 38.33%
    Balsamic 35.96%
    Mint 32.48%
    Vanilla 30.06%
    Green 26.23%
    Cooling 25.09%
    Fruity 24.84%
    Spicy 24.61%

     

    Flavor
    Green 37.1%
    Fruity 35.35%
    Bitter 35.07%
    Herbal 31.06%
    Floral 25.98%
    Mild 23.94%
    Oily 23.21%
    Musty 22.25%
    Tropical 21.24%
    Earthy 21.03%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    4.1

    pKa est.
    8.04 (weak base)

    Molecular weight
    308.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    398°C

    Flash point

    • 160.92 ˚C est.

  • Synonyms

    • SCHEMBL9725703
    • GSUITTNLJNGKAR-UHFFFAOYSA-N
    • 4-Hydroxyphenylglyoxal Diisoamyl Acetal

  • Applications

    4-Hydroxyphenylglyoxal Diisoamyl Acetal is primarily viewed as a synthetic intermediate and a masked aldehyde. In practice it is used as an intermediate to introduce the 4-Hydroxyphenylglyoxal moiety into target molecules in organic synthesis. As an acetal, it serves as a protected form of glyoxal that can be deprotected under acidic conditions to provide reactive glyoxal functionality when needed. In industry it finds applications in polymer and coatings formulations as a crosslinking or curing component, enabling networking in resins and adhesives after deprotection or as a building block for specialty phenolic resins. It may also be evaluated as a precursor for dyes or pigment-related materials where phenolic glyoxal units are desired. In some formulations, it can participate in adhesion-promoting or reactive-terminator roles in inks and coatings. Subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1199.05
    methanol 1214.94
    isopropanol 820.81
    water 0.54
    ethyl acetate 2688.51
    n-propanol 1119.2
    acetone 3673.4
    n-butanol 1009.97
    acetonitrile 1691.86
    DMF 3151.15
    toluene 1106.71
    isobutanol 888.83
    1,4-dioxane 1894.15
    methyl acetate 2125.98
    THF 3256.06
    2-butanone 2371.66
    n-pentanol 601.24
    sec-butanol 963.83
    n-hexane 142.89
    ethylene glycol 146.6
    NMP 3293.04
    cyclohexane 407.59
    DMSO 2900.68
    n-butyl acetate 1494.03
    n-octanol 296.85
    chloroform 5092.93
    n-propyl acetate 1244.87
    acetic acid 2392.11
    dichloromethane 4888.86
    cyclohexanone 3974.97
    propylene glycol 304.43
    isopropyl acetate 1590.76
    DMAc 2592.63
    2-ethoxyethanol 967.31
    isopentanol 892.65
    n-heptane 61.76
    ethyl formate 1274.65
    1,2-dichloroethane 4316.12
    n-hexanol 659.02
    2-methoxyethanol 1673.08
    isobutyl acetate 771.7
    tetrachloromethane 695.43
    n-pentyl acetate 965.73
    transcutol 3015.24
    n-heptanol 357.67
    ethylbenzene 459.8
    MIBK 1226.08
    2-propoxyethanol 1105.01
    tert-butanol 1159.71
    MTBE 1544.15
    2-butoxyethanol 741.22
    propionic acid 1487.74
    o-xylene 654.41
    formic acid 676.44
    diethyl ether 1717.66
    m-xylene 621.61
    p-xylene 677.1
    chlorobenzene 1943.52
    dimethyl carbonate 924.25
    n-octane 29.71
    formamide 1334.45
    cyclopentanone 4181.24
    2-pentanone 2447.92
    anisole 851.38
    cyclopentyl methyl ether 1952.87
    gamma-butyrolactone 4019.78
    1-methoxy-2-propanol 1343.39
    pyridine 2671.61
    3-pentanone 1833.82
    furfural 2646.85
    n-dodecane 21.71
    diethylene glycol 722.92
    diisopropyl ether 528.23
    tert-amyl alcohol 1152.85
    acetylacetone 2540.4
    n-hexadecane 26.4
    acetophenone 1035.39
    methyl propionate 1922.98
    isopentyl acetate 1353.36
    trichloroethylene 7423.38
    n-nonanol 278.49
    cyclohexanol 1429.78
    benzyl alcohol 758.86
    2-ethylhexanol 440.39
    isooctanol 323.55
    dipropyl ether 519.36
    1,2-dichlorobenzene 1620.49
    ethyl lactate 519.62
    propylene carbonate 2358.15
    n-methylformamide 1643.26
    2-pentanol 824.24
    n-pentane 137.83
    1-propoxy-2-propanol 821.49
    1-methoxy-2-propyl acetate 1356.98
    2-(2-methoxypropoxy) propanol 632.88
    mesitylene 394.38
    ε-caprolactone 3162.6
    p-cymene 278.66
    epichlorohydrin 4277.25
    1,1,1-trichloroethane 3655.79
    2-aminoethanol 432.97
    morpholine-4-carbaldehyde 2346.04
    sulfolane 4108.07
    2,2,4-trimethylpentane 101.78
    2-methyltetrahydrofuran 2573.03
    n-hexyl acetate 1132.8
    isooctane 64.2
    2-(2-butoxyethoxy)ethanol 887.45
    sec-butyl acetate 923.43
    tert-butyl acetate 1502.74
    decalin 148.83
    glycerin 417.15
    diglyme 1785.36
    acrylic acid 1277.45
    isopropyl myristate 337.7
    n-butyric acid 2228.52
    acetyl acetate 1748.78
    di(2-ethylhexyl) phthalate 328.99
    ethyl propionate 1059.03
    nitromethane 4127.14
    1,2-diethoxyethane 1108.92
    benzonitrile 1108.93
    trioctyl phosphate 244.03
    1-bromopropane 1886.14
    gamma-valerolactone 3913.26
    n-decanol 186.31
    triethyl phosphate 410.95
    4-methyl-2-pentanol 456.92
    propionitrile 1196.21
    vinylene carbonate 1989.35
    1,1,2-trichlorotrifluoroethane 2855.24
    DMS 1106.32
    cumene 295.45
    2-octanol 259.9
    2-hexanone 1115.56
    octyl acetate 458.91
    limonene 506.17
    1,2-dimethoxyethane 1539.9
    ethyl orthosilicate 390.51
    tributyl phosphate 345.83
    diacetone alcohol 1374.53
    N,N-dimethylaniline 548.53
    acrylonitrile 1535.87
    aniline 1292.19
    1,3-propanediol 758.79
    bromobenzene 2004.99
    dibromomethane 3283.82
    1,1,2,2-tetrachloroethane 5849.21
    2-methyl-cyclohexyl acetate 728.99
    tetrabutyl urea 393.52
    diisobutyl methanol 257.62
    2-phenylethanol 706.88
    styrene 604.53
    dioctyl adipate 492.65
    dimethyl sulfate 1433.71
    ethyl butyrate 863.77
    methyl lactate 850.27
    butyl lactate 652.75
    diethyl carbonate 596.43
    propanediol butyl ether 606.09
    triethyl orthoformate 568.26
    p-tert-butyltoluene 268.07
    methyl 4-tert-butylbenzoate 755.07
    morpholine 2483.11
    tert-butylamine 723.28
    n-dodecanol 135.62
    dimethoxymethane 1745.44
    ethylene carbonate 1796.92
    cyrene 634.68
    2-ethoxyethyl acetate 1226.47
    2-ethylhexyl acetate 1057.46
    1,2,4-trichlorobenzene 1982.91
    4-methylpyridine 2612.2
    dibutyl ether 459.18
    2,6-dimethyl-4-heptanol 257.62
    DEF 2293.11
    dimethyl isosorbide 1112.77
    tetrachloroethylene 3352.31
    eugenol 596.0
    triacetin 953.7
    span 80 555.58
    1,4-butanediol 273.63
    1,1-dichloroethane 4055.67
    2-methyl-1-pentanol 647.91
    methyl formate 1312.76
    2-methyl-1-butanol 928.15
    n-decane 40.63
    butyronitrile 1297.86
    3,7-dimethyl-1-octanol 368.56
    1-chlorooctane 305.94
    1-chlorotetradecane 97.6
    n-nonane 37.66
    undecane 28.06
    tert-butylcyclohexane 109.33
    cyclooctane 95.91
    cyclopentanol 1303.35
    tetrahydropyran 2595.85
    tert-amyl methyl ether 1096.82
    2,5,8-trioxanonane 1007.95
    1-hexene 495.28
    2-isopropoxyethanol 671.77
    2,2,2-trifluoroethanol 914.35
    methyl butyrate 1528.52

    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