Isopropyl gallate

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  • Identifiers

    CAS number
    1138-60-9

    Molecular formula
    C10H12O5

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

    Safety labels

  • Odor profile

    Fragrance
    Odorless 66.38%
    Phenolic 42.16%
    Burnt 26.3%
    Vanilla 24.95%
    Balsamic 24.21%
    Smoky 21.92%
    Milky 21.42%
    Spicy 20.12%
    Creamy 17.79%
    Dry 17.67%

     

    Flavor
    Bitter 67.47%
    Odorless 32.11%
    Mild 28.57%
    Bland 27.46%
    Sweet-like 21.25%
    Orange flower 20.22%
    Parsley 20.15%
    Eugenol 20.14%
    Ham 19.91%
    Heliotropin 19.85%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    9.12 (weak base)

    Molecular weight
    212.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    422°C

    Flash point

    • 170.46 ˚C est.

  • Synonyms

    • Isopropyl 3,4,5-trihydroxybenzoate
    • 1138-60-9
    • isopropyl gallate
    • propan-2-yl 3,4,5-trihydroxybenzoate
    • UNII-5O3N4U82G7
    • Benzoic acid, 3,4,5-trihydroxy-, 1-methylethyl ester
    • 5O3N4U82G7
    • EINECS 214-515-5
    • NSC-133457
    • DTXSID00150554
    • GALLIC ACID, ISOPROPYL ESTER
    • NSC 133457
    • RefChem:149819
    • DTXCID4073045
    • Isopropyl 3,4,5-trihydroxybenzoic acid
    • Isopropylgallate
    • MFCD00016424
    • isopropylgallat
    • iso-propyl gallate
    • NSC133457
    • CBMicro_011249
    • Oprea1_182912
    • SCHEMBL276309
    • TXGSOSAONMOPDL-UHFFFAOYSA-N
    • SMSF0004173
    • BBL001134
    • NSC727430
    • STK366528
    • methylethyl 3,4,5-trihydroxybenzoate
    • AKOS005443078
    • CB14346
    • FP69844
    • NSC-727430
    • VS-00818
    • BIM-0011224.P001
    • CS-0329560
    • NS00023699
    • ST50562825
    • H38231
    • 138I609
    • Q27262620
    • 1138-60-9

  • Applications

    Isopropyl gallate is primarily used as an antioxidant and stabilizer in a variety of formulations. In polymers and plastics, it acts as a free-radical scavenger to improve thermal-oxidative stability of polyolefins and rubber compounds. In coatings and inks, it serves to enhance aging resistance and product shelf life by inhibiting oxidation. In cosmetics and personal care products, it is employed as a stabilizer to protect oils, fragrances and other ingredients from oxidative degradation. It may also be evaluated as an additive in household cleaning formulations to preserve effectiveness and extend shelf life, and it can function as an intermediate in organic synthesis for further derivatization of gallate esters. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 255.99
    methanol 314.0
    isopropanol 212.79
    water 1.47
    ethyl acetate 81.84
    n-propanol 203.38
    acetone 183.85
    n-butanol 137.22
    acetonitrile 45.52
    DMF 1122.03
    toluene 5.14
    isobutanol 109.12
    1,4-dioxane 86.31
    methyl acetate 125.7
    THF 463.48
    2-butanone 155.7
    n-pentanol 73.22
    sec-butanol 217.48
    n-hexane 1.03
    ethylene glycol 121.77
    NMP 490.81
    cyclohexane 0.85
    DMSO 1368.8
    n-butyl acetate 54.32
    n-octanol 26.98
    chloroform 10.25
    n-propyl acetate 49.57
    acetic acid 150.59
    dichloromethane 15.03
    cyclohexanone 90.37
    propylene glycol 161.32
    isopropyl acetate 51.42
    DMAc 746.09
    2-ethoxyethanol 257.28
    isopentanol 110.94
    n-heptane 1.2
    ethyl formate 56.53
    1,2-dichloroethane 26.95
    n-hexanol 65.34
    2-methoxyethanol 492.38
    isobutyl acetate 15.69
    tetrachloromethane 2.82
    n-pentyl acetate 26.21
    transcutol 273.32
    n-heptanol 29.76
    ethylbenzene 7.21
    MIBK 59.28
    2-propoxyethanol 169.51
    tert-butanol 337.14
    MTBE 142.05
    2-butoxyethanol 73.51
    propionic acid 113.54
    o-xylene 8.63
    formic acid 202.97
    diethyl ether 67.98
    m-xylene 6.71
    p-xylene 7.21
    chlorobenzene 6.35
    dimethyl carbonate 78.44
    n-octane 0.72
    formamide 482.71
    cyclopentanone 205.34
    2-pentanone 108.2
    anisole 48.7
    cyclopentyl methyl ether 105.38
    gamma-butyrolactone 255.85
    1-methoxy-2-propanol 362.56
    pyridine 49.96
    3-pentanone 61.03
    furfural 159.83
    n-dodecane 0.76
    diethylene glycol 183.22
    diisopropyl ether 16.91
    tert-amyl alcohol 326.94
    acetylacetone 115.82
    n-hexadecane 0.86
    acetophenone 53.7
    methyl propionate 115.82
    isopentyl acetate 47.74
    trichloroethylene 41.49
    n-nonanol 24.39
    cyclohexanol 60.22
    benzyl alcohol 51.98
    2-ethylhexanol 31.29
    isooctanol 24.35
    dipropyl ether 24.26
    1,2-dichlorobenzene 10.41
    ethyl lactate 55.34
    propylene carbonate 94.55
    n-methylformamide 390.51
    2-pentanol 109.35
    n-pentane 1.41
    1-propoxy-2-propanol 110.74
    1-methoxy-2-propyl acetate 83.53
    2-(2-methoxypropoxy) propanol 89.09
    mesitylene 5.27
    ε-caprolactone 101.57
    p-cymene 8.1
    epichlorohydrin 219.02
    1,1,1-trichloroethane 11.83
    2-aminoethanol 221.92
    morpholine-4-carbaldehyde 313.81
    sulfolane 426.94
    2,2,4-trimethylpentane 2.57
    2-methyltetrahydrofuran 205.16
    n-hexyl acetate 42.33
    isooctane 1.31
    2-(2-butoxyethoxy)ethanol 109.64
    sec-butyl acetate 30.87
    tert-butyl acetate 84.52
    decalin 1.5
    glycerin 234.09
    diglyme 193.28
    acrylic acid 108.41
    isopropyl myristate 15.94
    n-butyric acid 91.55
    acetyl acetate 36.39
    di(2-ethylhexyl) phthalate 21.29
    ethyl propionate 48.9
    nitromethane 333.19
    1,2-diethoxyethane 53.12
    benzonitrile 24.8
    trioctyl phosphate 16.88
    1-bromopropane 11.33
    gamma-valerolactone 228.98
    n-decanol 18.26
    triethyl phosphate 29.42
    4-methyl-2-pentanol 51.68
    propionitrile 40.47
    vinylene carbonate 62.58
    1,1,2-trichlorotrifluoroethane 183.26
    DMS 47.83
    cumene 7.11
    2-octanol 20.17
    2-hexanone 48.0
    octyl acetate 23.36
    limonene 12.4
    1,2-dimethoxyethane 249.22
    ethyl orthosilicate 25.47
    tributyl phosphate 20.04
    diacetone alcohol 177.68
    N,N-dimethylaniline 42.63
    acrylonitrile 65.98
    aniline 29.34
    1,3-propanediol 236.51
    bromobenzene 4.31
    dibromomethane 8.72
    1,1,2,2-tetrachloroethane 40.29
    2-methyl-cyclohexyl acetate 32.51
    tetrabutyl urea 31.62
    diisobutyl methanol 19.89
    2-phenylethanol 48.42
    styrene 7.17
    dioctyl adipate 28.17
    dimethyl sulfate 196.8
    ethyl butyrate 37.14
    methyl lactate 118.1
    butyl lactate 39.57
    diethyl carbonate 29.31
    propanediol butyl ether 83.76
    triethyl orthoformate 29.74
    p-tert-butyltoluene 9.32
    methyl 4-tert-butylbenzoate 55.99
    morpholine 201.15
    tert-butylamine 103.16
    n-dodecanol 12.91
    dimethoxymethane 327.27
    ethylene carbonate 48.7
    cyrene 105.51
    2-ethoxyethyl acetate 49.74
    2-ethylhexyl acetate 30.51
    1,2,4-trichlorobenzene 17.36
    4-methylpyridine 59.1
    dibutyl ether 18.48
    2,6-dimethyl-4-heptanol 19.89
    DEF 187.0
    dimethyl isosorbide 129.08
    tetrachloroethylene 24.97
    eugenol 56.23
    triacetin 52.95
    span 80 55.18
    1,4-butanediol 85.35
    1,1-dichloroethane 12.25
    2-methyl-1-pentanol 67.33
    methyl formate 209.07
    2-methyl-1-butanol 120.02
    n-decane 1.27
    butyronitrile 35.88
    3,7-dimethyl-1-octanol 28.69
    1-chlorooctane 7.31
    1-chlorotetradecane 2.87
    n-nonane 1.09
    undecane 0.97
    tert-butylcyclohexane 1.71
    cyclooctane 0.53
    cyclopentanol 104.86
    tetrahydropyran 62.15
    tert-amyl methyl ether 129.91
    2,5,8-trioxanonane 129.94
    1-hexene 6.13
    2-isopropoxyethanol 131.86
    2,2,2-trifluoroethanol 78.95
    methyl butyrate 69.06

    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