4-Isobutylresorcinol

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  • Identifiers

    CAS number
    18979-62-9

    Molecular formula
    C10H14O2

    SMILES
    CC(C)CC1=C(C=C(C=C1)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 80.3%
    Spicy 52.52%
    Medicinal 52.34%
    Smoky 52.08%
    Leathery 38.88%
    Woody 37.31%
    Burnt 36.62%
    Animal 33.48%
    Musty 25.88%
    Balsamic 24.36%

     

    Flavor
    Phenolic 58.68%
    Medicinal 46.46%
    Woody 32.52%
    Spice 32.37%
    Mild 31.99%
    Camphor 29.97%
    Bitter 29.1%
    Spicy 28.72%
    Herbal 27.57%
    Creosote 25.18%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    10.66 (weak base)

    Molecular weight
    166.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    297°C

    Flash point

    • 132.39 ˚C est.

  • Synonyms

    • 4-isobutylresorcinol
    • 18979-62-9
    • Resorcinol, 4-isobutyl-
    • 1,3-Benzenediol, 4-(2-methylpropyl)-
    • UNII-G9902W3HHX
    • 4-Isobutylresorcinol [INCI]
    • G9902W3HHX
    • DTXSID10172404
    • RefChem:99491
    • DTXCID2094895
    • 4-(2-methylpropyl)benzene-1,3-diol
    • 4-isobutylbenzene-1,3-diol
    • 4-isobutyl-benzene-1,3-diol
    • SCHEMBL1402200
    • SCHEMBL3022818
    • TAA97962
    • MFCD24713582
    • AKOS022637228
    • E84505
    • EN300-180811
    • Q27278959
    • Z1513805538
    • 18979-62-9

  • Applications

    4-Isobutylresorcinol (CAS 18979-62-9) is a phenolic compound bearing a para-isobutyl substituent on resorcinol. In industrial practice it is commonly evaluated as a synthetic building block for specialty chemicals, including dyes and fragrance/cosmetic actives. It can serve as a precursor in the synthesis of phenolic resins and related materials, and as an antioxidant or phenolic stabilizer in polymers, plastics, and coatings to improve thermal stability and resistance to oxidation. In perfumery and personal care, it may be used as an odorant or fragrance component and can function as a fixative in formulations. It may also be used as an intermediate in coatings, inks, or adhesives formulations. Actual usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 816.51
    methanol 845.59
    isopropanol 688.21
    water 0.81
    ethyl acetate 572.29
    n-propanol 696.95
    acetone 1597.37
    n-butanol 598.36
    acetonitrile 460.12
    DMF 1217.53
    toluene 111.75
    isobutanol 511.58
    1,4-dioxane 572.12
    methyl acetate 577.47
    THF 2561.22
    2-butanone 1046.89
    n-pentanol 407.54
    sec-butanol 576.19
    n-hexane 64.32
    ethylene glycol 215.3
    NMP 937.61
    cyclohexane 28.14
    DMSO 2215.02
    n-butyl acetate 424.61
    n-octanol 198.21
    chloroform 322.56
    n-propyl acetate 366.34
    acetic acid 359.06
    dichloromethane 292.34
    cyclohexanone 782.07
    propylene glycol 383.07
    isopropyl acetate 335.06
    DMAc 763.15
    2-ethoxyethanol 529.52
    isopentanol 504.32
    n-heptane 20.89
    ethyl formate 327.24
    1,2-dichloroethane 411.04
    n-hexanol 505.68
    2-methoxyethanol 895.48
    isobutyl acetate 215.04
    tetrachloromethane 83.06
    n-pentyl acetate 190.93
    transcutol 1087.33
    n-heptanol 202.08
    ethylbenzene 89.04
    MIBK 453.06
    2-propoxyethanol 759.79
    tert-butanol 859.58
    MTBE 701.19
    2-butoxyethanol 345.43
    propionic acid 451.54
    o-xylene 81.98
    formic acid 166.77
    diethyl ether 499.72
    m-xylene 119.18
    p-xylene 99.17
    chlorobenzene 164.1
    dimethyl carbonate 247.52
    n-octane 9.32
    formamide 309.86
    cyclopentanone 1809.34
    2-pentanone 873.89
    anisole 285.15
    cyclopentyl methyl ether 817.35
    gamma-butyrolactone 1512.14
    1-methoxy-2-propanol 832.44
    pyridine 364.44
    3-pentanone 483.29
    furfural 626.79
    n-dodecane 6.64
    diethylene glycol 480.32
    diisopropyl ether 156.74
    tert-amyl alcohol 657.8
    acetylacetone 658.4
    n-hexadecane 7.6
    acetophenone 233.43
    methyl propionate 551.3
    isopentyl acetate 352.06
    trichloroethylene 657.52
    n-nonanol 153.45
    cyclohexanol 375.17
    benzyl alcohol 212.51
    2-ethylhexanol 227.3
    isooctanol 155.07
    dipropyl ether 203.77
    1,2-dichlorobenzene 151.05
    ethyl lactate 173.98
    propylene carbonate 530.47
    n-methylformamide 718.07
    2-pentanol 433.06
    n-pentane 37.59
    1-propoxy-2-propanol 491.4
    1-methoxy-2-propyl acetate 381.04
    2-(2-methoxypropoxy) propanol 249.56
    mesitylene 74.69
    ε-caprolactone 569.58
    p-cymene 57.6
    epichlorohydrin 1307.36
    1,1,1-trichloroethane 345.3
    2-aminoethanol 417.15
    morpholine-4-carbaldehyde 623.91
    sulfolane 1653.58
    2,2,4-trimethylpentane 28.02
    2-methyltetrahydrofuran 1356.3
    n-hexyl acetate 321.95
    isooctane 28.27
    2-(2-butoxyethoxy)ethanol 422.21
    sec-butyl acetate 219.0
    tert-butyl acetate 440.64
    decalin 24.93
    glycerin 394.73
    diglyme 620.98
    acrylic acid 354.07
    isopropyl myristate 90.97
    n-butyric acid 548.97
    acetyl acetate 226.65
    di(2-ethylhexyl) phthalate 88.81
    ethyl propionate 318.23
    nitromethane 860.17
    1,2-diethoxyethane 276.19
    benzonitrile 204.91
    trioctyl phosphate 87.3
    1-bromopropane 226.42
    gamma-valerolactone 1148.52
    n-decanol 111.07
    triethyl phosphate 88.06
    4-methyl-2-pentanol 252.21
    propionitrile 421.88
    vinylene carbonate 329.99
    1,1,2-trichlorotrifluoroethane 562.69
    DMS 220.29
    cumene 66.71
    2-octanol 136.43
    2-hexanone 506.02
    octyl acetate 137.57
    limonene 90.83
    1,2-dimethoxyethane 730.53
    ethyl orthosilicate 89.88
    tributyl phosphate 99.05
    diacetone alcohol 614.56
    N,N-dimethylaniline 152.87
    acrylonitrile 460.49
    aniline 242.93
    1,3-propanediol 519.04
    bromobenzene 135.18
    dibromomethane 216.32
    1,1,2,2-tetrachloroethane 535.69
    2-methyl-cyclohexyl acetate 161.02
    tetrabutyl urea 121.02
    diisobutyl methanol 116.19
    2-phenylethanol 251.16
    styrene 100.85
    dioctyl adipate 123.16
    dimethyl sulfate 420.83
    ethyl butyrate 221.15
    methyl lactate 306.38
    butyl lactate 196.49
    diethyl carbonate 121.66
    propanediol butyl ether 418.51
    triethyl orthoformate 131.36
    p-tert-butyltoluene 63.01
    methyl 4-tert-butylbenzoate 187.11
    morpholine 846.07
    tert-butylamine 468.28
    n-dodecanol 76.36
    dimethoxymethane 803.89
    ethylene carbonate 300.87
    cyrene 255.1
    2-ethoxyethyl acetate 244.84
    2-ethylhexyl acetate 245.14
    1,2,4-trichlorobenzene 197.52
    4-methylpyridine 399.14
    dibutyl ether 152.49
    2,6-dimethyl-4-heptanol 116.19
    DEF 499.7
    dimethyl isosorbide 400.51
    tetrachloroethylene 316.9
    eugenol 199.31
    triacetin 197.94
    span 80 217.75
    1,4-butanediol 234.4
    1,1-dichloroethane 376.53
    2-methyl-1-pentanol 332.72
    methyl formate 509.94
    2-methyl-1-butanol 471.02
    n-decane 12.63
    butyronitrile 432.21
    3,7-dimethyl-1-octanol 183.39
    1-chlorooctane 90.25
    1-chlorotetradecane 24.89
    n-nonane 13.26
    undecane 8.93
    tert-butylcyclohexane 31.39
    cyclooctane 13.93
    cyclopentanol 652.4
    tetrahydropyran 748.44
    tert-amyl methyl ether 426.77
    2,5,8-trioxanonane 332.99
    1-hexene 206.31
    2-isopropoxyethanol 357.09
    2,2,2-trifluoroethanol 146.08
    methyl butyrate 420.0

    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