3,5-Dihydroxybenzoic Acid

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  • Identifiers

    CAS number
    99-10-5

    Molecular formula
    C7H6O4

    SMILES
    C1=C(C=C(C=C1O)O)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 66.37%
    Phenolic 53.38%
    Burnt 28.6%
    Nutty 26.41%
    Balsamic 24.67%
    Sour 22.74%
    Bitter 21.37%
    Medicinal 20.98%
    Milky 19.69%
    Animal 19.53%

     

    Flavor
    Phenolic 53.79%
    Odorless 50.2%
    Nutty 45.18%
    Mild 44.7%
    Bitter 34.44%
    Sour 27.86%
    Faint 27.14%
    Very mild 26.14%
    Musty 25.88%
    Urine 23.61%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    9.11 (weak base)

    Molecular weight
    154.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    406°C

    Melting point expt.

    • 237 °C

    Flash point

    • 192.16 ˚C est.

  • Synonyms

    • 3,5-DIHYDROXYBENZOIC ACID
    • 99-10-5
    • alpha-Resorcylic acid
    • 5-Carboxyresorcinol
    • Benzoic acid, 3,5-dihydroxy-
    • NSC 22948
    • 2WC5LMO6L1
    • NSC-22948
    • DTXSID8059184
    • CHEBI:39912
    • RefChem:486870
    • DTXCID3049093
    • 202-730-7
    • MFCD00002512
    • 3,5-DIHYDROXYBENZOATE
    • a-resorcylic acid
    • 3,5-Dihydroxybenzoicacid
    • 3,5-Dihydroxy benzoic acid
    • .alpha.-Resorcylic acid
    • Terbutaline EP Impurity A
    • 3,5-Dihydroxy-benzoic acid
    • CHEMBL95308
    • 3,5-Dihydroxybenzoic acid, 97%
    • 3,5-dihydroxybenzoic acid (alpha-resorcylic acid)
    • UNII-2WC5LMO6L1
    • 145639-71-0
    • 34D
    • EINECS 202-730-7
    • BRN 2207864
    • AI3-52338
    • ??-resorcylic acid
    • 3,5-dihyroxybenzoic acid
    • 3_5_dihydroxybenzoic_acid
    • 3,5-dihydroxylbenzoic acid
    • 3,5-Dihydroxybenzoate, IX
    • SCHEMBL28106
    • 4-10-00-01501 (Beilstein Handbook Reference)
    • GTPL5783
    • orb1310485
    • SCHEMBL6631098
    • SCHEMBL6635176
    • SCHEMBL22660297
    • 3,5-Dihydroxybenzoic acid (NIST)
    • BB_NC-02257
    • NSC22948
    • STR02341
    • BBL019762
    • BDBM50336490
    • EBC-03977
    • s6160
    • SBB058836
    • STL146349
    • AKOS005721135
    • AB00234
    • AC-1166
    • CS-W016276
    • FD22103
    • HY-W015560
    • PS-4051
    • AC-10253
    • SY003472
    • DB-028292
    • 3,5-Dihydroxybenzoic acid (ACD/Name 4.0)
    • D0570
    • D2554
    • NS00001748
    • ST50824444
    • 3,5-Dihydroxybenzoic Acid (?-Resorcylic Acid)
    • EN300-112021
    • P16552
    • AE-562/40806860
    • alpha-Resorcylic Acid (3,5-Dihydroxybenzoic Acid)
    • F235192
    • Q4634089
    • TERBUTALINE SULFATE IMPURITY A [EP IMPURITY]
    • F0001-2331
    • Z1255485190
    • 3,5-Dihydroxybenzoic acid, Vetec(TM) reagent grade, 97%
    • InChI=1/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11
    • 19991-00-5
    • 99-10-5

  • Applications

    3,5-Dihydroxybenzoic Acid (CAS 99-10-5) is primarily used as an intermediate in organic synthesis, providing a versatile precursor to esters, amides, and glycosides for pharmaceutical and agrochemical research. It also serves as a building block for polyphenolic derivatives in polymer and coating applications, including specialty resins and paints. In cosmetics/personal care, it may be used as an antioxidant or metal-chelating additive in formulations, subject to regulatory limits. In cleaning and household products, its chelating properties can help improve formulation stability and performance. It may also function as a precursor to dyes and colorants used in inks and coatings.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 72.62
    methanol 154.35
    isopropanol 47.83
    water 20.75
    ethyl acetate 16.55
    n-propanol 48.75
    acetone 98.28
    n-butanol 49.93
    acetonitrile 20.5
    DMF 602.66
    toluene 1.52
    isobutanol 32.84
    1,4-dioxane 39.3
    methyl acetate 26.41
    THF 1493.38
    2-butanone 43.25
    n-pentanol 54.03
    sec-butanol 35.66
    n-hexane 1.36
    ethylene glycol 118.7
    NMP 117.07
    cyclohexane 0.28
    DMSO 1060.31
    n-butyl acetate 21.85
    n-octanol 31.11
    chloroform 3.58
    n-propyl acetate 26.56
    acetic acid 18.58
    dichloromethane 5.05
    cyclohexanone 28.71
    propylene glycol 46.72
    isopropyl acetate 15.72
    DMAc 335.99
    2-ethoxyethanol 167.94
    isopentanol 55.18
    n-heptane 2.22
    ethyl formate 30.01
    1,2-dichloroethane 9.62
    n-hexanol 58.84
    2-methoxyethanol 263.98
    isobutyl acetate 9.86
    tetrachloromethane 4.71
    n-pentyl acetate 14.12
    transcutol 30.11
    n-heptanol 39.61
    ethylbenzene 3.72
    MIBK 41.37
    2-propoxyethanol 156.55
    tert-butanol 123.57
    MTBE 29.28
    2-butoxyethanol 72.51
    propionic acid 13.81
    o-xylene 2.93
    formic acid 63.87
    diethyl ether 14.18
    m-xylene 3.81
    p-xylene 3.79
    chlorobenzene 1.52
    dimethyl carbonate 38.58
    n-octane 1.21
    formamide 107.79
    cyclopentanone 166.95
    2-pentanone 48.59
    anisole 25.94
    cyclopentyl methyl ether 59.04
    gamma-butyrolactone 124.48
    1-methoxy-2-propanol 164.63
    pyridine 11.52
    3-pentanone 18.75
    furfural 55.16
    n-dodecane 1.4
    diethylene glycol 172.88
    diisopropyl ether 6.74
    tert-amyl alcohol 74.93
    acetylacetone 52.48
    n-hexadecane 1.46
    acetophenone 23.94
    methyl propionate 30.32
    isopentyl acetate 18.64
    trichloroethylene 9.57
    n-nonanol 27.98
    cyclohexanol 15.69
    benzyl alcohol 22.47
    2-ethylhexanol 26.36
    isooctanol 28.67
    dipropyl ether 25.64
    1,2-dichlorobenzene 3.09
    ethyl lactate 27.73
    propylene carbonate 26.08
    n-methylformamide 171.07
    2-pentanol 27.69
    n-pentane 0.71
    1-propoxy-2-propanol 74.68
    1-methoxy-2-propyl acetate 32.36
    2-(2-methoxypropoxy) propanol 43.79
    mesitylene 4.01
    ε-caprolactone 23.7
    p-cymene 5.71
    epichlorohydrin 153.4
    1,1,1-trichloroethane 6.15
    2-aminoethanol 115.86
    morpholine-4-carbaldehyde 113.26
    sulfolane 168.55
    2,2,4-trimethylpentane 0.86
    2-methyltetrahydrofuran 105.29
    n-hexyl acetate 19.24
    isooctane 1.19
    2-(2-butoxyethoxy)ethanol 48.12
    sec-butyl acetate 13.4
    tert-butyl acetate 31.61
    decalin 0.87
    glycerin 98.82
    diglyme 93.76
    acrylic acid 14.62
    isopropyl myristate 12.26
    n-butyric acid 21.13
    acetyl acetate 8.22
    di(2-ethylhexyl) phthalate 10.85
    ethyl propionate 28.93
    nitromethane 79.17
    1,2-diethoxyethane 13.72
    benzonitrile 10.3
    trioctyl phosphate 14.66
    1-bromopropane 4.64
    gamma-valerolactone 89.95
    n-decanol 22.98
    triethyl phosphate 16.14
    4-methyl-2-pentanol 26.72
    propionitrile 21.44
    vinylene carbonate 16.02
    1,1,2-trichlorotrifluoroethane 68.62
    DMS 10.22
    cumene 4.85
    2-octanol 21.96
    2-hexanone 43.36
    octyl acetate 17.48
    limonene 6.27
    1,2-dimethoxyethane 244.75
    ethyl orthosilicate 14.99
    tributyl phosphate 10.32
    diacetone alcohol 80.38
    N,N-dimethylaniline 28.22
    acrylonitrile 29.51
    aniline 5.62
    1,3-propanediol 115.79
    bromobenzene 1.09
    dibromomethane 2.82
    1,1,2,2-tetrachloroethane 11.93
    2-methyl-cyclohexyl acetate 16.83
    tetrabutyl urea 21.49
    diisobutyl methanol 18.52
    2-phenylethanol 29.15
    styrene 2.69
    dioctyl adipate 14.43
    dimethyl sulfate 86.75
    ethyl butyrate 21.57
    methyl lactate 44.96
    butyl lactate 14.54
    diethyl carbonate 13.75
    propanediol butyl ether 34.6
    triethyl orthoformate 15.52
    p-tert-butyltoluene 6.5
    methyl 4-tert-butylbenzoate 31.72
    morpholine 73.34
    tert-butylamine 44.79
    n-dodecanol 17.77
    dimethoxymethane 283.87
    ethylene carbonate 14.5
    cyrene 53.32
    2-ethoxyethyl acetate 13.0
    2-ethylhexyl acetate 12.82
    1,2,4-trichlorobenzene 3.61
    4-methylpyridine 14.21
    dibutyl ether 11.24
    2,6-dimethyl-4-heptanol 18.52
    DEF 74.15
    dimethyl isosorbide 71.35
    tetrachloroethylene 9.82
    eugenol 39.7
    triacetin 11.7
    span 80 25.65
    1,4-butanediol 73.59
    1,1-dichloroethane 4.46
    2-methyl-1-pentanol 38.18
    methyl formate 117.31
    2-methyl-1-butanol 38.54
    n-decane 1.84
    butyronitrile 26.68
    3,7-dimethyl-1-octanol 20.45
    1-chlorooctane 8.56
    1-chlorotetradecane 4.31
    n-nonane 1.58
    undecane 1.59
    tert-butylcyclohexane 1.43
    cyclooctane 0.35
    cyclopentanol 52.41
    tetrahydropyran 21.56
    tert-amyl methyl ether 28.46
    2,5,8-trioxanonane 80.25
    1-hexene 4.96
    2-isopropoxyethanol 81.32
    2,2,2-trifluoroethanol 23.83
    methyl butyrate 41.52

    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