3,5-Dihydroxy-4-methylbenzoic Acid

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  • Identifiers

    CAS number
    28026-96-2

    Molecular formula
    C8H8O4

    SMILES
    CC1=C(C=C(C=C1O)C(=O)O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 64.23%
    Odorless 63.01%
    Burnt 31.05%
    Balsamic 29.01%
    Medicinal 27.77%
    Smoky 27.68%
    Vanilla 26.45%
    Bitter 22.77%
    Spicy 22.3%
    Milky 21.57%

     

    Flavor
    Phenolic 53.6%
    Odorless 48.16%
    Mild 44.58%
    Bitter 37.38%
    Nutty 35.26%
    Faint 26.18%
    Very mild 24.52%
    Sour 24.02%
    Urine 22.71%
    Musty 22.58%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.1

    pKa est.
    7.71 (neutral)

    Molecular weight
    168.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    444°C

    Flash point

    • 179.58 ˚C est.

  • Synonyms

    • 3,5-Dihydroxy-4-methylbenzoic acid
    • 28026-96-2
    • DTXSID90372708
    • RefChem:486868
    • DTXCID40323740
    • 608-159-3
    • MFCD00002514
    • 3,5-Dihydroxy-4-methylbenzoicacid
    • 3,5-dihydroxy-4-methyl-benzoic Acid
    • 4-METHYL-3,5-DIHYDROXY BENZOIC ACID
    • 4-Methyl-3,5-dihydroxybenzoic acid
    • 3,5-DIHYDROXY-P-TOLUIC ACID
    • Benzoic acid, 3,5-dihydroxy-4-methyl-
    • orb1684869
    • SCHEMBL1919748
    • 3,5-dihydroxy4-methylbenzoic acid
    • SBB063984
    • AKOS004903511
    • CS-W017815
    • FD34027
    • AC-11757
    • AS-17353
    • SY048893
    • DB-047321
    • D4712
    • ST50407062
    • 026D962
    • F219926
    • InChI=1/C8H8O4/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3,9-10H,1H3,(H,11,12
    • 28026-96-2

  • Applications

    3,5-Dihydroxy-4-methylbenzoic Acid (CAS 28026-96-2) is primarily used as an intermediate in the synthesis of pharmaceuticals and agrochemicals and as a building block for specialty dyes and pigments. It is evaluated as a precursor for phenolic antioxidants and UV-stabilizers in polymers and coatings, contributing to material longevity. In fragrance chemistry, it serves as a starting material for aroma compounds. The dihydroxybenzoic framework can also support chelating or stabilizing roles in certain polymer formulations and in coatings, inks, and plastics. Its use is typically defined by formulation needs and local regulatory requirements.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 160.43
    methanol 215.3
    isopropanol 108.11
    water 8.89
    ethyl acetate 34.11
    n-propanol 105.31
    acetone 169.64
    n-butanol 76.41
    acetonitrile 64.0
    DMF 351.98
    toluene 4.06
    isobutanol 54.96
    1,4-dioxane 93.53
    methyl acetate 64.54
    THF 368.5
    2-butanone 100.71
    n-pentanol 46.15
    sec-butanol 71.09
    n-hexane 0.97
    ethylene glycol 68.61
    NMP 133.48
    cyclohexane 1.06
    DMSO 320.46
    n-butyl acetate 14.01
    n-octanol 18.3
    chloroform 2.83
    n-propyl acetate 14.89
    acetic acid 39.65
    dichloromethane 8.34
    cyclohexanone 42.04
    propylene glycol 44.14
    isopropyl acetate 18.17
    DMAc 297.8
    2-ethoxyethanol 137.92
    isopentanol 64.31
    n-heptane 2.14
    ethyl formate 38.35
    1,2-dichloroethane 12.85
    n-hexanol 31.21
    2-methoxyethanol 257.34
    isobutyl acetate 4.76
    tetrachloromethane 2.47
    n-pentyl acetate 11.38
    transcutol 48.68
    n-heptanol 24.19
    ethylbenzene 4.67
    MIBK 26.73
    2-propoxyethanol 82.15
    tert-butanol 171.09
    MTBE 51.96
    2-butoxyethanol 48.62
    propionic acid 26.83
    o-xylene 6.75
    formic acid 80.8
    diethyl ether 37.77
    m-xylene 5.69
    p-xylene 5.66
    chlorobenzene 2.54
    dimethyl carbonate 24.7
    n-octane 1.27
    formamide 235.04
    cyclopentanone 118.5
    2-pentanone 58.72
    anisole 24.05
    cyclopentyl methyl ether 45.04
    gamma-butyrolactone 104.41
    1-methoxy-2-propanol 132.09
    pyridine 29.17
    3-pentanone 29.02
    furfural 54.27
    n-dodecane 1.05
    diethylene glycol 83.09
    diisopropyl ether 7.8
    tert-amyl alcohol 104.02
    acetylacetone 40.49
    n-hexadecane 1.11
    acetophenone 21.12
    methyl propionate 41.27
    isopentyl acetate 12.9
    trichloroethylene 11.93
    n-nonanol 17.92
    cyclohexanol 25.55
    benzyl alcohol 23.25
    2-ethylhexanol 15.01
    isooctanol 17.52
    dipropyl ether 16.25
    1,2-dichlorobenzene 3.53
    ethyl lactate 13.35
    propylene carbonate 23.48
    n-methylformamide 188.5
    2-pentanol 37.35
    n-pentane 1.27
    1-propoxy-2-propanol 39.21
    1-methoxy-2-propyl acetate 22.53
    2-(2-methoxypropoxy) propanol 33.12
    mesitylene 4.35
    ε-caprolactone 34.92
    p-cymene 5.19
    epichlorohydrin 132.74
    1,1,1-trichloroethane 6.79
    2-aminoethanol 108.89
    morpholine-4-carbaldehyde 114.45
    sulfolane 99.01
    2,2,4-trimethylpentane 1.01
    2-methyltetrahydrofuran 121.78
    n-hexyl acetate 15.22
    isooctane 0.79
    2-(2-butoxyethoxy)ethanol 46.5
    sec-butyl acetate 8.4
    tert-butyl acetate 25.22
    decalin 0.92
    glycerin 63.4
    diglyme 77.18
    acrylic acid 19.58
    isopropyl myristate 7.86
    n-butyric acid 30.46
    acetyl acetate 11.72
    di(2-ethylhexyl) phthalate 8.58
    ethyl propionate 16.34
    nitromethane 127.61
    1,2-diethoxyethane 21.15
    benzonitrile 11.56
    trioctyl phosphate 8.53
    1-bromopropane 6.31
    gamma-valerolactone 107.31
    n-decanol 14.84
    triethyl phosphate 9.0
    4-methyl-2-pentanol 20.83
    propionitrile 33.18
    vinylene carbonate 15.58
    1,1,2-trichlorotrifluoroethane 44.5
    DMS 9.95
    cumene 4.14
    2-octanol 13.1
    2-hexanone 24.95
    octyl acetate 12.18
    limonene 6.7
    1,2-dimethoxyethane 149.36
    ethyl orthosilicate 9.01
    tributyl phosphate 6.4
    diacetone alcohol 62.09
    N,N-dimethylaniline 20.39
    acrylonitrile 40.98
    aniline 12.85
    1,3-propanediol 132.98
    bromobenzene 1.85
    dibromomethane 4.3
    1,1,2,2-tetrachloroethane 10.46
    2-methyl-cyclohexyl acetate 10.43
    tetrabutyl urea 15.24
    diisobutyl methanol 10.22
    2-phenylethanol 21.6
    styrene 3.73
    dioctyl adipate 10.47
    dimethyl sulfate 40.61
    ethyl butyrate 12.75
    methyl lactate 29.57
    butyl lactate 9.77
    diethyl carbonate 8.52
    propanediol butyl ether 27.94
    triethyl orthoformate 9.16
    p-tert-butyltoluene 5.45
    methyl 4-tert-butylbenzoate 24.19
    morpholine 131.46
    tert-butylamine 51.85
    n-dodecanol 10.99
    dimethoxymethane 162.54
    ethylene carbonate 14.0
    cyrene 40.08
    2-ethoxyethyl acetate 17.99
    2-ethylhexyl acetate 8.36
    1,2,4-trichlorobenzene 4.85
    4-methylpyridine 29.11
    dibutyl ether 9.85
    2,6-dimethyl-4-heptanol 10.22
    DEF 70.81
    dimethyl isosorbide 50.24
    tetrachloroethylene 8.27
    eugenol 24.59
    triacetin 11.39
    span 80 21.95
    1,4-butanediol 56.29
    1,1-dichloroethane 6.98
    2-methyl-1-pentanol 35.87
    methyl formate 103.24
    2-methyl-1-butanol 54.57
    n-decane 1.5
    butyronitrile 33.69
    3,7-dimethyl-1-octanol 14.47
    1-chlorooctane 4.9
    1-chlorotetradecane 2.64
    n-nonane 1.32
    undecane 1.25
    tert-butylcyclohexane 0.9
    cyclooctane 0.74
    cyclopentanol 54.87
    tetrahydropyran 46.23
    tert-amyl methyl ether 38.89
    2,5,8-trioxanonane 62.02
    1-hexene 4.1
    2-isopropoxyethanol 60.27
    2,2,2-trifluoroethanol 26.54
    methyl butyrate 24.12

    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