Ethyl gallate

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  • Identifiers

    CAS number
    831-61-8

    Molecular formula
    C9H10O5

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 66.19%
    Phenolic 48.48%
    Burnt 30.17%
    Vanilla 29.09%
    Balsamic 28.38%
    Spicy 24.4%
    Smoky 24.17%
    Milky 20.59%
    Dry 18.18%
    Medicinal 17.85%

     

    Flavor
    Bitter 70.1%
    Odorless 32.53%
    Mild 30.09%
    Bland 28.58%
    Vanilla 24.8%
    Sweet 23.33%
    Sweet-like 22.69%
    Eugenol 21.94%
    Powdery 21.91%
    Parsley 21.56%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.54 (weak base)

    Molecular weight
    198.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    419°C

    Melting point expt.

    • 160 - 162 °C

    Flash point

    • 173.23 ˚C est.

  • Synonyms

    • ETHYL GALLATE
    • 831-61-8
    • Ethyl 3,4,5-trihydroxybenzoate
    • Benzoic acid, 3,4,5-trihydroxy-, ethyl ester
    • 235I6UDD3L
    • NSC-402626
    • DTXSID2061195
    • CHEBI:87247
    • RefChem:138933
    • DTXCID5048348
    • 212-608-5
    • Gallic acid ethyl ester
    • Phyllemblin
    • Ethylgallate
    • Nipagallin A
    • Progallin A
    • Nipa No. 48
    • Gallic acid, ethyl ester
    • NIPA 48
    • 3,4,5-Trihydroxybenzoic acid ethyl ester
    • MFCD00016430
    • Ethylester kyseliny gallove
    • NSC 402626
    • CHEMBL453196
    • NSC402626
    • Ethyl-3,4,5-trihydroxybenzoate
    • Ethylester kyseliny gallove [Czech]
    • EINECS 212-608-5
    • BRN 2116014
    • UNII-235I6UDD3L
    • gallate ethyl ester
    • Gallic acid-ethyl ester
    • Ethyl gallate (Standard)
    • Ethyl Gallate(Ethyl 3,4,5-Trihydroxybenzoate)
    • SCHEMBL39599
    • Ethyl 3,5-trihydroxybenzoate
    • Ethyl-3,5-trihydroxybenzoate
    • ETHYL GALLATE [MART.]
    • orb1303837
    • RARECHEM AL BI 0070
    • HY-N0525R
    • MSK2320
    • HMS5084P16
    • HY-N0525
    • BDBM50244948
    • s5550
    • SBB060353
    • STL303724
    • AKOS015838687
    • 3,5-Trihydroxybenzoic acid ethyl ester
    • CCG-266568
    • EBC-151101
    • FE39365
    • AC-11363
    • AC-34482
    • DS-17928
    • E313
    • ST098712
    • SY033133
    • 3,4,5-Trihydroxy-benzoic acid ethyl ester
    • Benzoic acid,4,5-trihydroxy-, ethyl ester
    • DB-056687
    • CS-0009060
    • E0854
    • G0016
    • NS00020124
    • Ethyl gallate, antioxidant, >=96.0% (HPLC)
    • EN300-8620672
    • Q4532976
    • F1905-7042
    • Z1255434814
    • 6359F896-3057-40AA-81CD-5734DCE29C20
    • 831-61-8

  • Applications

    Ethyl gallate (CAS 831-61-8) is the ethyl ester of gallic acid and is commonly used as an antioxidant and stabilizer in multiple formulations. In industrial manufacturing, it is employed as an antioxidant additive for polymers and plastics and as a stabilizer in coatings and inks to slow oxidative degradation and discoloration. In cosmetics and personal care, it acts as an antioxidant to improve product stability and shelf life. In the food processing sector, where permitted by regulation, it may serve as an antioxidant to protect fats and oils and extend shelf life. It also functions as a chemical intermediate for gallic acid derivatives used in pharmaceutical and fine chemical synthesis. Usage is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 354.66
    methanol 456.38
    isopropanol 292.46
    water 3.33
    ethyl acetate 143.97
    n-propanol 269.82
    acetone 383.22
    n-butanol 167.8
    acetonitrile 77.66
    DMF 1432.58
    toluene 9.52
    isobutanol 127.75
    1,4-dioxane 202.8
    methyl acetate 241.87
    THF 649.49
    2-butanone 254.33
    n-pentanol 83.95
    sec-butanol 249.24
    n-hexane 0.9
    ethylene glycol 202.35
    NMP 492.66
    cyclohexane 1.58
    DMSO 1978.91
    n-butyl acetate 54.45
    n-octanol 31.09
    chloroform 7.35
    n-propyl acetate 60.32
    acetic acid 181.18
    dichloromethane 18.63
    cyclohexanone 104.73
    propylene glycol 160.05
    isopropyl acetate 69.04
    DMAc 920.79
    2-ethoxyethanol 369.05
    isopentanol 127.23
    n-heptane 1.91
    ethyl formate 74.31
    1,2-dichloroethane 39.97
    n-hexanol 61.36
    2-methoxyethanol 699.74
    isobutyl acetate 16.07
    tetrachloromethane 2.62
    n-pentyl acetate 32.63
    transcutol 338.93
    n-heptanol 35.37
    ethylbenzene 9.51
    MIBK 68.55
    2-propoxyethanol 185.7
    tert-butanol 516.2
    MTBE 223.89
    2-butoxyethanol 87.72
    propionic acid 130.9
    o-xylene 13.83
    formic acid 328.75
    diethyl ether 135.57
    m-xylene 9.64
    p-xylene 9.16
    chlorobenzene 7.31
    dimethyl carbonate 119.72
    n-octane 1.12
    formamide 982.54
    cyclopentanone 258.34
    2-pentanone 154.22
    anisole 73.55
    cyclopentyl methyl ether 133.34
    gamma-butyrolactone 304.33
    1-methoxy-2-propanol 435.76
    pyridine 84.42
    3-pentanone 96.22
    furfural 182.96
    n-dodecane 1.1
    diethylene glycol 226.49
    diisopropyl ether 25.51
    tert-amyl alcohol 413.03
    acetylacetone 167.06
    n-hexadecane 1.25
    acetophenone 63.99
    methyl propionate 183.67
    isopentyl acetate 43.88
    trichloroethylene 43.72
    n-nonanol 29.47
    cyclohexanol 71.64
    benzyl alcohol 65.94
    2-ethylhexanol 29.96
    isooctanol 27.59
    dipropyl ether 32.85
    1,2-dichlorobenzene 10.69
    ethyl lactate 52.91
    propylene carbonate 80.27
    n-methylformamide 586.56
    2-pentanol 122.38
    n-pentane 1.83
    1-propoxy-2-propanol 109.99
    1-methoxy-2-propyl acetate 85.52
    2-(2-methoxypropoxy) propanol 94.01
    mesitylene 7.49
    ε-caprolactone 107.67
    p-cymene 9.72
    epichlorohydrin 294.45
    1,1,1-trichloroethane 11.59
    2-aminoethanol 324.08
    morpholine-4-carbaldehyde 397.84
    sulfolane 454.55
    2,2,4-trimethylpentane 2.46
    2-methyltetrahydrofuran 267.55
    n-hexyl acetate 46.53
    isooctane 1.35
    2-(2-butoxyethoxy)ethanol 127.12
    sec-butyl acetate 34.17
    tert-butyl acetate 104.0
    decalin 1.54
    glycerin 259.32
    diglyme 250.32
    acrylic acid 121.13
    isopropyl myristate 19.62
    n-butyric acid 91.44
    acetyl acetate 48.84
    di(2-ethylhexyl) phthalate 21.0
    ethyl propionate 59.13
    nitromethane 566.59
    1,2-diethoxyethane 81.51
    benzonitrile 28.81
    trioctyl phosphate 17.81
    1-bromopropane 15.34
    gamma-valerolactone 268.87
    n-decanol 22.58
    triethyl phosphate 28.38
    4-methyl-2-pentanol 54.03
    propionitrile 55.94
    vinylene carbonate 55.74
    1,1,2-trichlorotrifluoroethane 186.62
    DMS 54.14
    cumene 7.9
    2-octanol 23.91
    2-hexanone 57.2
    octyl acetate 27.54
    limonene 15.1
    1,2-dimethoxyethane 344.68
    ethyl orthosilicate 25.16
    tributyl phosphate 19.0
    diacetone alcohol 205.45
    N,N-dimethylaniline 55.76
    acrylonitrile 97.63
    aniline 48.83
    1,3-propanediol 321.83
    bromobenzene 4.96
    dibromomethane 9.69
    1,1,2,2-tetrachloroethane 39.27
    2-methyl-cyclohexyl acetate 32.13
    tetrabutyl urea 32.47
    diisobutyl methanol 21.59
    2-phenylethanol 50.53
    styrene 10.51
    dioctyl adipate 31.48
    dimethyl sulfate 250.09
    ethyl butyrate 42.34
    methyl lactate 132.32
    butyl lactate 36.54
    diethyl carbonate 31.12
    propanediol butyl ether 81.92
    triethyl orthoformate 31.57
    p-tert-butyltoluene 11.07
    methyl 4-tert-butylbenzoate 63.79
    morpholine 366.16
    tert-butylamine 148.14
    n-dodecanol 16.35
    dimethoxymethane 543.76
    ethylene carbonate 44.76
    cyrene 101.7
    2-ethoxyethyl acetate 70.19
    2-ethylhexyl acetate 28.03
    1,2,4-trichlorobenzene 18.16
    4-methylpyridine 76.52
    dibutyl ether 24.89
    2,6-dimethyl-4-heptanol 21.59
    DEF 248.03
    dimethyl isosorbide 130.64
    tetrachloroethylene 27.21
    eugenol 61.48
    triacetin 59.39
    span 80 55.69
    1,4-butanediol 110.24
    1,1-dichloroethane 14.43
    2-methyl-1-pentanol 71.57
    methyl formate 323.1
    2-methyl-1-butanol 131.03
    n-decane 1.85
    butyronitrile 41.23
    3,7-dimethyl-1-octanol 30.91
    1-chlorooctane 8.95
    1-chlorotetradecane 3.83
    n-nonane 1.58
    undecane 1.41
    tert-butylcyclohexane 1.62
    cyclooctane 0.89
    cyclopentanol 117.42
    tetrahydropyran 120.6
    tert-amyl methyl ether 176.28
    2,5,8-trioxanonane 169.99
    1-hexene 5.98
    2-isopropoxyethanol 180.27
    2,2,2-trifluoroethanol 87.46
    methyl butyrate 74.83

    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