3,4,5-Trimethoxybenzoic Acid

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  • Identifiers

    CAS number
    118-41-2

    Molecular formula
    C10H12O5

    SMILES
    COC1=CC(=CC(=C1OC)OC)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Vanilla 65.89%
    Sweet 57.6%
    Floral 56.04%
    Balsamic 51.41%
    Powdery 45.57%
    Phenolic 43.58%
    Spicy 40.27%
    Creamy 39.49%
    Woody 33.67%
    Smoky 30.86%

     

    Flavor
    Woody 37.98%
    Sweet 35.63%
    Spice 28.54%
    Powdery 27.94%
    Caramel 27.9%
    Odorless 27.17%
    Smoky 27.01%
    Faint 26.67%
    Vanilla 26.62%
    Creamy 25.89%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    6.49 (neutral)

    Molecular weight
    212.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    349°C

    Melting point expt.

    • 171 - 172 °C

    Flash point

    • 149.93 ˚C est.

  • Synonyms

    • 3,4,5-TRIMETHOXYBENZOIC ACID
    • 118-41-2
    • Eudesmic acid
    • Gallic acid trimethyl ether
    • Trimethylgallic acid
    • Tri-O-methylgallic acid
    • Benzoic acid, 3,4,5-trimethoxy-
    • V5C9H0SC9F
    • NSC-2525
    • DTXSID3059472
    • CHEBI:454991
    • RefChem:90933
    • DTXCID3033432
    • 204-248-2
    • Veratric acid, 5-methoxy-
    • MFCD00002501
    • NSC 2525
    • 3,4,5-trimethoxy-benzoic acid
    • 3,4,5-Trimethoxy Benzoic Acid
    • 5-methoxy-veratric acid
    • NSC2525
    • Trimethoprim EP Impurity J
    • UNII-V5C9H0SC9F
    • Trimethylgallicacid
    • H5A
    • Trimebutine Imp. B (EP); Trimethoprim Imp. J (EP); 3,4,5-Trimethoxybenzoic Acid; Trimebutine Maleate Impurity B; Trimethoprim Impurity J
    • EINECS 204-248-2
    • Spectrum_000082
    • SpecPlus_000919
    • AI3-21153
    • Spectrum2_000791
    • Spectrum3_000260
    • Spectrum4_001625
    • Spectrum5_000409
    • EC 204-248-2
    • 3,5-Trimethoxybenzoic acid
    • SCHEMBL6592
    • Oprea1_180796
    • BSPBio_001680
    • CBDivE_013176
    • CBDivE_014084
    • KBioGR_002029
    • KBioSS_000502
    • MLS002207176
    • DivK1c_007015
    • SPBio_000922
    • Benzoic acid,4,5-trimethoxy-
    • CHEMBL377172
    • orb1310431
    • SCHEMBL4089388
    • 3,4,5 trimethoxy benzoic acid
    • BDBM92458
    • KBio1_001959
    • KBio2_000502
    • KBio2_003070
    • KBio2_005638
    • KBio3_001180
    • Eudesmic acid,Trimethylgallic Acid
    • BB_NC-02273
    • HY-Y0084
    • STR02399
    • BBL009652
    • CCG-40169
    • EBC-14646
    • MSK167024
    • s3862
    • SBB058083
    • STK246307
    • AKOS000113542
    • AC-2858
    • FT28525
    • PS-7989
    • NCGC00179094-01
    • DA-78623
    • SMR000112093
    • ST097622
    • DB-347777
    • CS-0008360
    • NS00001871
    • T0705
    • TRIMETHOPRIM IMPURITY J [EP IMPURITY]
    • EN300-19836
    • AE-641/30185043
    • F210798
    • Q3278222
    • TRIMEBUTINE MALEATE IMPURITY B [EP IMPURITY]
    • 3,4,5-Trimethoxybenzoic acid, ReagentPlus(R), 99%
    • Trimebutine EP Impurity B/Trimethoprim EP Impurity J
    • F2191-0131
    • Z104475702
    • 3,4,5-Trimethoxybenzoic acid, Vetec(TM) reagent grade, 99%
    • 3,4,5-Trimethoxybenzoic Acid; Trimebutine EP Impurity B; Trimethoprim EP Impurity J
    • 118-41-2

  • Applications

    3,4,5-Trimethoxybenzoic acid (CAS 118-41-2) is primarily used as an intermediate in organic synthesis. In the pharmaceutical and agrochemical industries, it serves as a building block for the preparation of functionalized benzoic acid derivatives. In fragrance and flavor chemistry, it may be used as a precursor to aroma compounds and related flavor additives. In coatings, inks, and adhesives, it can serve as a starting material for the synthesis of specialty esters and crosslinking agents. In polymer and plastics research, it is explored as a building block for functionalized aromatic monomers or as a scaffold for exploratory synthesis. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 33.44
    methanol 54.0
    isopropanol 17.72
    water 1.08
    ethyl acetate 32.33
    n-propanol 20.67
    acetone 76.13
    n-butanol 14.38
    acetonitrile 48.81
    DMF 274.33
    toluene 5.43
    isobutanol 12.16
    1,4-dioxane 84.02
    methyl acetate 56.56
    THF 140.22
    2-butanone 42.68
    n-pentanol 14.82
    sec-butanol 14.5
    n-hexane 1.02
    ethylene glycol 59.39
    NMP 218.71
    cyclohexane 2.33
    DMSO 516.48
    n-butyl acetate 32.57
    n-octanol 13.89
    chloroform 59.65
    n-propyl acetate 34.12
    acetic acid 74.2
    dichloromethane 132.24
    cyclohexanone 75.65
    propylene glycol 19.92
    isopropyl acetate 17.86
    DMAc 188.19
    2-ethoxyethanol 79.24
    isopentanol 13.06
    n-heptane 2.24
    ethyl formate 57.55
    1,2-dichloroethane 94.75
    n-hexanol 17.8
    2-methoxyethanol 120.96
    isobutyl acetate 16.6
    tetrachloromethane 13.88
    n-pentyl acetate 23.93
    transcutol 63.19
    n-heptanol 14.34
    ethylbenzene 9.81
    MIBK 16.11
    2-propoxyethanol 56.75
    tert-butanol 31.91
    MTBE 18.12
    2-butoxyethanol 36.58
    propionic acid 41.62
    o-xylene 11.1
    formic acid 80.85
    diethyl ether 16.29
    m-xylene 7.4
    p-xylene 13.19
    chlorobenzene 19.86
    dimethyl carbonate 45.5
    n-octane 1.44
    formamide 179.55
    cyclopentanone 127.9
    2-pentanone 25.21
    anisole 32.86
    cyclopentyl methyl ether 33.19
    gamma-butyrolactone 206.81
    1-methoxy-2-propanol 55.2
    pyridine 56.09
    3-pentanone 22.46
    furfural 180.99
    n-dodecane 1.4
    diethylene glycol 80.41
    diisopropyl ether 5.22
    tert-amyl alcohol 25.28
    acetylacetone 52.12
    n-hexadecane 1.62
    acetophenone 49.39
    methyl propionate 42.39
    isopentyl acetate 28.78
    trichloroethylene 137.08
    n-nonanol 13.34
    cyclohexanol 19.72
    benzyl alcohol 35.42
    2-ethylhexanol 15.42
    isooctanol 12.54
    dipropyl ether 15.92
    1,2-dichlorobenzene 33.73
    ethyl lactate 32.4
    propylene carbonate 85.45
    n-methylformamide 151.56
    2-pentanol 8.9
    n-pentane 0.96
    1-propoxy-2-propanol 35.74
    1-methoxy-2-propyl acetate 39.5
    2-(2-methoxypropoxy) propanol 34.22
    mesitylene 6.61
    ε-caprolactone 78.06
    p-cymene 12.19
    epichlorohydrin 184.31
    1,1,1-trichloroethane 37.94
    2-aminoethanol 44.54
    morpholine-4-carbaldehyde 179.5
    sulfolane 306.44
    2,2,4-trimethylpentane 1.24
    2-methyltetrahydrofuran 64.83
    n-hexyl acetate 27.96
    isooctane 0.72
    2-(2-butoxyethoxy)ethanol 37.13
    sec-butyl acetate 17.94
    tert-butyl acetate 25.86
    decalin 2.65
    glycerin 57.05
    diglyme 96.49
    acrylic acid 53.12
    isopropyl myristate 12.05
    n-butyric acid 35.53
    acetyl acetate 27.5
    di(2-ethylhexyl) phthalate 16.77
    ethyl propionate 26.77
    nitromethane 208.78
    1,2-diethoxyethane 26.32
    benzonitrile 37.32
    trioctyl phosphate 13.55
    1-bromopropane 19.9
    gamma-valerolactone 164.54
    n-decanol 10.61
    triethyl phosphate 28.09
    4-methyl-2-pentanol 6.71
    propionitrile 28.6
    vinylene carbonate 85.59
    1,1,2-trichlorotrifluoroethane 142.81
    DMS 39.53
    cumene 10.04
    2-octanol 9.64
    2-hexanone 27.11
    octyl acetate 17.33
    limonene 15.07
    1,2-dimethoxyethane 125.49
    ethyl orthosilicate 22.92
    tributyl phosphate 15.26
    diacetone alcohol 43.31
    N,N-dimethylaniline 32.86
    acrylonitrile 55.87
    aniline 19.09
    1,3-propanediol 45.98
    bromobenzene 17.74
    dibromomethane 66.45
    1,1,2,2-tetrachloroethane 98.06
    2-methyl-cyclohexyl acetate 31.98
    tetrabutyl urea 22.96
    diisobutyl methanol 10.11
    2-phenylethanol 34.8
    styrene 10.48
    dioctyl adipate 23.69
    dimethyl sulfate 115.17
    ethyl butyrate 28.99
    methyl lactate 41.96
    butyl lactate 22.06
    diethyl carbonate 28.16
    propanediol butyl ether 27.53
    triethyl orthoformate 25.73
    p-tert-butyltoluene 11.12
    methyl 4-tert-butylbenzoate 42.69
    morpholine 93.94
    tert-butylamine 14.69
    n-dodecanol 8.36
    dimethoxymethane 110.84
    ethylene carbonate 64.28
    cyrene 63.26
    2-ethoxyethyl acetate 37.44
    2-ethylhexyl acetate 23.08
    1,2,4-trichlorobenzene 41.37
    4-methylpyridine 42.39
    dibutyl ether 12.55
    2,6-dimethyl-4-heptanol 10.11
    DEF 64.34
    dimethyl isosorbide 77.38
    tetrachloroethylene 78.74
    eugenol 40.72
    triacetin 40.5
    span 80 24.88
    1,4-butanediol 25.34
    1,1-dichloroethane 36.4
    2-methyl-1-pentanol 14.28
    methyl formate 150.03
    2-methyl-1-butanol 12.24
    n-decane 2.17
    butyronitrile 22.2
    3,7-dimethyl-1-octanol 12.3
    1-chlorooctane 9.44
    1-chlorotetradecane 4.38
    n-nonane 1.9
    undecane 1.71
    tert-butylcyclohexane 2.12
    cyclooctane 1.09
    cyclopentanol 33.94
    tetrahydropyran 37.26
    tert-amyl methyl ether 16.84
    2,5,8-trioxanonane 63.14
    1-hexene 4.12
    2-isopropoxyethanol 42.02
    2,2,2-trifluoroethanol 62.32
    methyl butyrate 44.36

    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