Gallic acid monohydrate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    5995-86-8

    Molecular formula
    C7H8O6

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 79.04%
    Phenolic 46.91%
    Burnt 28.92%
    Balsamic 23.77%
    Smoky 18.95%
    Medicinal 17.54%
    Savory 16.66%
    Bitter 15.81%
    Milky 15.52%
    Sharp 15.28%

     

    Flavor
    Odorless 49.96%
    Phenolic 49.34%
    Mild 45.5%
    Bitter 40.04%
    Nutty 29.2%
    Very mild 26.57%
    Faint 25.64%
    Bland 24.19%
    Sour 23.98%
    Sweet-like 22.85%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    8.44 (weak base)

    Molecular weight
    188.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    428°C

    Flash point

    • 205.75 ˚C est.

  • Synonyms

    • Gallic acid monohydrate
    • 3,4,5-Trihydroxybenzoic acid monohydrate
    • Gallic acid, monohydrate
    • UNII-48339473OT
    • Benzoic acid, 3,4,5-trihydroxy-, monohydrate
    • 48339473OT
    • Acidum Gallicum
    • RefChem:58298
    • 5995-86-8
    • 3,4,5-trihydroxybenzoic acid hydrate
    • Gallic Acid Hydrate
    • Gallicum acidum
    • MFCD00149098
    • Gallic acid (hydrate)
    • 3,4,5-trihydroxybenzoic acid;hydrate
    • 3,4,5-Trihydroxybenzoic acid hydrate (1:1)
    • Benzoic acid, 3,4,5-trihydroxy-, hydrate (1:1)
    • Benzoic acid, 3,4,5-trihydroxy-, hydrate
    • 3,4,5-Trihydroxybenzoicacidhydrate
    • GALLICUM ACIDUM [HPUS]
    • orb2944194
    • SCHEMBL1334688
    • CHEMBL3634562
    • HY-N0523A
    • HMS6018F14
    • GALLIC ACID MONOHYDRATE [MI]
    • SBB063284
    • AKOS015888592
    • 3,4,5-trihydroxybenzoic acid, hydrate
    • AT30909
    • FG01954
    • 3,4,5-trihydroxybenzoic acid, oxamethane
    • AS-14767
    • SY061339
    • DB-105155
    • CS-0016781
    • ST50825283
    • F242843
    • Gallic Acid, Monohydrate, Crystal, Reagent, ACS
    • 3,4,5-Trihydroxybenzoic acid monohydrate ACS grade
    • Q27259102
    • 3,4,5-Trihydroxybenzoic Acid Hydrate; 3,4,5-Trihydroxybenzoic Acid Monohydrate;
    • 5995-86-8

  • Applications

    Gallic acid monohydrate (CAS 5995-86-8) is a convenient starting material for the synthesis of gallate esters (e.g., propyl gallate, octyl gallate) that are widely used as antioxidants and stabilizers in foods, cosmetics, and polymer formulations; it also functions as an antioxidant/stabilizer within polymers, coatings, inks, and adhesives to improve durability and light stability; owing to its polyphenolic chelating properties, it can act as a metal-chelating agent in cleaning formulations and surface-treatment chemistries; as a biobased building block, it supports the development of polyphenol-based materials and crosslinking chemistries for bio-based resins and coatings; in research contexts, it is used as a reagent to access more complex polyphenolic compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 181.35
    methanol 281.05
    isopropanol 80.6
    water 13.83
    ethyl acetate 18.73
    n-propanol 92.26
    acetone 101.02
    n-butanol 49.98
    acetonitrile 67.49
    DMF 230.37
    toluene 6.49
    isobutanol 34.79
    1,4-dioxane 56.56
    methyl acetate 28.0
    THF 154.08
    2-butanone 50.33
    n-pentanol 33.38
    sec-butanol 46.97
    n-hexane 2.16
    ethylene glycol 149.15
    NMP 108.13
    cyclohexane 3.16
    DMSO 448.63
    n-butyl acetate 7.13
    n-octanol 30.49
    chloroform 1.49
    n-propyl acetate 6.68
    acetic acid 30.21
    dichloromethane 4.57
    cyclohexanone 15.44
    propylene glycol 70.01
    isopropyl acetate 9.24
    DMAc 210.47
    2-ethoxyethanol 127.82
    isopentanol 29.17
    n-heptane 8.39
    ethyl formate 14.19
    1,2-dichloroethane 9.06
    n-hexanol 23.81
    2-methoxyethanol 208.84
    isobutyl acetate 1.54
    tetrachloromethane 0.98
    n-pentyl acetate 10.53
    transcutol 76.83
    n-heptanol 33.44
    ethylbenzene 4.74
    MIBK 11.57
    2-propoxyethanol 70.19
    tert-butanol 75.31
    MTBE 32.25
    2-butoxyethanol 59.43
    propionic acid 18.6
    o-xylene 8.07
    formic acid 96.3
    diethyl ether 50.27
    m-xylene 6.55
    p-xylene 3.71
    chlorobenzene 1.42
    dimethyl carbonate 19.14
    n-octane 4.27
    formamide 207.04
    cyclopentanone 39.91
    2-pentanone 30.83
    anisole 14.78
    cyclopentyl methyl ether 31.87
    gamma-butyrolactone 38.8
    1-methoxy-2-propanol 111.55
    pyridine 29.47
    3-pentanone 23.36
    furfural 22.2
    n-dodecane 2.99
    diethylene glycol 89.65
    diisopropyl ether 9.86
    tert-amyl alcohol 49.27
    acetylacetone 19.92
    n-hexadecane 3.09
    acetophenone 10.32
    methyl propionate 28.31
    isopentyl acetate 4.7
    trichloroethylene 5.29
    n-nonanol 28.04
    cyclohexanol 17.74
    benzyl alcohol 16.17
    2-ethylhexanol 10.83
    isooctanol 20.11
    dipropyl ether 24.6
    1,2-dichlorobenzene 1.42
    ethyl lactate 9.93
    propylene carbonate 6.9
    n-methylformamide 124.64
    2-pentanol 29.65
    n-pentane 4.52
    1-propoxy-2-propanol 37.84
    1-methoxy-2-propyl acetate 14.67
    2-(2-methoxypropoxy) propanol 35.09
    mesitylene 4.95
    ε-caprolactone 13.65
    p-cymene 5.79
    epichlorohydrin 50.18
    1,1,1-trichloroethane 1.77
    2-aminoethanol 158.71
    morpholine-4-carbaldehyde 82.92
    sulfolane 52.42
    2,2,4-trimethylpentane 1.6
    2-methyltetrahydrofuran 51.7
    n-hexyl acetate 13.35
    isooctane 1.23
    2-(2-butoxyethoxy)ethanol 60.67
    sec-butyl acetate 3.36
    tert-butyl acetate 10.79
    decalin 1.32
    glycerin 98.26
    diglyme 77.73
    acrylic acid 18.09
    isopropyl myristate 7.44
    n-butyric acid 12.84
    acetyl acetate 4.95
    di(2-ethylhexyl) phthalate 6.12
    ethyl propionate 8.69
    nitromethane 71.82
    1,2-diethoxyethane 23.43
    benzonitrile 5.09
    trioctyl phosphate 7.3
    1-bromopropane 6.52
    gamma-valerolactone 42.4
    n-decanol 22.12
    triethyl phosphate 4.42
    4-methyl-2-pentanol 13.66
    propionitrile 23.64
    vinylene carbonate 4.98
    1,1,2-trichlorotrifluoroethane 28.74
    DMS 6.53
    cumene 3.55
    2-octanol 18.56
    2-hexanone 10.87
    octyl acetate 12.57
    limonene 7.84
    1,2-dimethoxyethane 83.21
    ethyl orthosilicate 4.89
    tributyl phosphate 3.97
    diacetone alcohol 31.63
    N,N-dimethylaniline 16.56
    acrylonitrile 32.2
    aniline 14.11
    1,3-propanediol 100.09
    bromobenzene 1.05
    dibromomethane 2.96
    1,1,2,2-tetrachloroethane 5.78
    2-methyl-cyclohexyl acetate 3.97
    tetrabutyl urea 12.71
    diisobutyl methanol 8.87
    2-phenylethanol 13.48
    styrene 4.03
    dioctyl adipate 8.77
    dimethyl sulfate 27.98
    ethyl butyrate 6.86
    methyl lactate 27.23
    butyl lactate 9.44
    diethyl carbonate 3.69
    propanediol butyl ether 38.81
    triethyl orthoformate 5.92
    p-tert-butyltoluene 6.01
    methyl 4-tert-butylbenzoate 21.04
    morpholine 83.8
    tert-butylamine 37.19
    n-dodecanol 16.61
    dimethoxymethane 148.58
    ethylene carbonate 4.32
    cyrene 30.29
    2-ethoxyethyl acetate 17.25
    2-ethylhexyl acetate 3.52
    1,2,4-trichlorobenzene 1.95
    4-methylpyridine 16.24
    dibutyl ether 12.76
    2,6-dimethyl-4-heptanol 8.87
    DEF 46.42
    dimethyl isosorbide 34.16
    tetrachloroethylene 5.21
    eugenol 22.1
    triacetin 9.62
    span 80 24.87
    1,4-butanediol 56.62
    1,1-dichloroethane 3.48
    2-methyl-1-pentanol 17.55
    methyl formate 55.6
    2-methyl-1-butanol 28.95
    n-decane 4.76
    butyronitrile 16.23
    3,7-dimethyl-1-octanol 13.49
    1-chlorooctane 8.51
    1-chlorotetradecane 4.14
    n-nonane 4.55
    undecane 3.76
    tert-butylcyclohexane 1.05
    cyclooctane 2.74
    cyclopentanol 31.43
    tetrahydropyran 31.32
    tert-amyl methyl ether 27.41
    2,5,8-trioxanonane 69.05
    1-hexene 5.44
    2-isopropoxyethanol 55.01
    2,2,2-trifluoroethanol 17.43
    methyl butyrate 8.66

    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