Methyl 3,4,5-trimethoxybenzoate

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  • Identifiers

    CAS number
    1916-07-0

    Molecular formula
    C11H14O5

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

    Safety labels

  • Odor profile

    Fragrance
    Floral 70.98%
    Sweet 55.26%
    Fruity 51.37%
    Vanilla 51.1%
    Spicy 45.47%
    Powdery 40.4%
    Green 37.72%
    Balsamic 36.67%
    Woody 36.15%
    Fresh 34.52%

     

    Flavor
    Bitter 46.36%
    Fruity 25.95%
    Woody 25.43%
    Parsley 23.53%
    Eugenol 22.15%
    Aniseed 22.01%
    Spice 21.94%
    Tarragon 21.29%
    Ethyl benzoate 20.84%
    Mildew 20.78%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.7

    pKa est.
    5.68 (weak acid)

    Molecular weight
    226.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    320°C

    Flash point

    • 123.04 ˚C est.

  • Synonyms

    • Methyl 3,4,5-trimethoxybenzoate
    • 1916-07-0
    • Trimethylgallic acid methyl ester
    • 3,4,5-Trimethoxybenzoic acid methyl ester
    • Methyl tri-O-methylgallate
    • BENZOIC ACID, 3,4,5-TRIMETHOXY-, METHYL ESTER
    • 3,4,5-Trimethoxybenzoic acid, methyl ester
    • QFP1LSC7TK
    • UNII-QFP1LSC7TK
    • EINECS 217-629-3
    • NSC 16955
    • Methyl gallate trimethyl ether
    • BRN 2218156
    • AI3-21154
    • NSC-16955
    • DTXSID0062058
    • 4-10-00-01999 (Beilstein Handbook Reference)
    • Methyl 3,4,5-trimethoxybenzoic acid
    • TRIMETHOPRIM IMPURITY H [EP IMPURITY]
    • TRIMEBUTINE MALEATE IMPURITY C [EP IMPURITY]
    • TRIMETHOPRIM IMPURITY H (EP IMPURITY)
    • TRIMEBUTINE MALEATE IMPURITY C (EP IMPURITY)
    • RefChem:157396
    • DTXCID8036021
    • 217-629-3
    • InChI=1/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H
    • KACHFMOHOPLTNX-UHFFFAOYSA-N
    • Methyl EudesMate
    • methyl 3,4,5-trimethoxy-d9-benzoate
    • 1182838-07-8
    • MFCD00008431
    • Methyl 3,4,5-trimethoxy benzoate
    • Trimethoprim EP Impurity H
    • Trimebutine Imp. C (EP); Trimethoprim Imp. H (EP); Methyl 3,4,5-Trimethoxybenzoate; Trimebutine Maleate Impurity C; Trimethoprim Impurity H
    • Trimebutine EP Impurity C
    • Trimethylgallicacidmethylester
    • Methyl 3,5-trimethoxybenzoate
    • SCHEMBL211747
    • orb1310483
    • SCHEMBL6380548
    • SCHEMBL7960025
    • CHEMBL1651039
    • CHEBI:192678
    • BB_SC-06778
    • HY-N2044
    • NSC16955
    • BBL009653
    • EBC-13234
    • s3863
    • SBB064244
    • STK401656
    • AKOS003283901
    • CCG-266765
    • FM25405
    • 3,5-Trimethoxybenzoic acid methyl ester
    • Methyl 3,4,5-trimethoxybenzoate, 98%
    • 3,5-Trimethoxybenzoic acid, methyl ester
    • AC-11227
    • AC-34705
    • AS-60488
    • DA-58738
    • Benzoic acid,4,5-trimethoxy-, methyl ester
    • CS-0018534
    • NS00026249
    • ST45025225
    • T1092
    • D70529
    • EN300-1228933
    • AC-907/25014289
    • AF-684/30328043
    • F211261
    • Q27287238
    • Z18364264
    • F0001-0689
    • Methyl 3,4,5-Trimethoxybenzoate; Trimebutine EP Impurity C; Trimethoprim EP Impurity H
    • 1916-07-0

  • Applications

    Methyl 3,4,5-trimethoxybenzoate (CAS 1916-07-0) is used mainly as an intermediate in organic synthesis and as a fragrance-related building block in the chemical industry, providing aroma notes and serving as a precursor to more complex aroma compounds. In cosmetics and personal care, it may appear as a fragrance component within finished products. It is also encountered as a synthetic intermediate in pharmaceutical manufacturing and as a specialty building block for coatings and inks formulations. These uses are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.45
    methanol 50.56
    isopropanol 29.43
    water 1.35
    ethyl acetate 285.74
    n-propanol 30.76
    acetone 331.41
    n-butanol 27.47
    acetonitrile 315.97
    DMF 531.66
    toluene 59.28
    isobutanol 23.61
    1,4-dioxane 305.43
    methyl acetate 298.52
    THF 418.92
    2-butanone 186.79
    n-pentanol 25.35
    sec-butanol 30.74
    n-hexane 5.84
    ethylene glycol 43.18
    NMP 601.77
    cyclohexane 19.24
    DMSO 579.32
    n-butyl acetate 151.24
    n-octanol 24.1
    chloroform 701.21
    n-propyl acetate 170.54
    acetic acid 307.05
    dichloromethane 964.83
    cyclohexanone 312.21
    propylene glycol 20.8
    isopropyl acetate 148.51
    DMAc 429.31
    2-ethoxyethanol 139.89
    isopentanol 30.43
    n-heptane 7.81
    ethyl formate 210.3
    1,2-dichloroethane 549.12
    n-hexanol 32.82
    2-methoxyethanol 214.97
    isobutyl acetate 78.17
    tetrachloromethane 136.89
    n-pentyl acetate 83.54
    transcutol 196.85
    n-heptanol 23.88
    ethylbenzene 53.09
    MIBK 80.31
    2-propoxyethanol 118.43
    tert-butanol 63.53
    MTBE 90.33
    2-butoxyethanol 73.94
    propionic acid 137.04
    o-xylene 69.32
    formic acid 174.18
    diethyl ether 107.61
    m-xylene 50.94
    p-xylene 69.87
    chlorobenzene 163.3
    dimethyl carbonate 259.75
    n-octane 3.84
    formamide 431.37
    cyclopentanone 487.9
    2-pentanone 142.16
    anisole 156.27
    cyclopentyl methyl ether 173.28
    gamma-butyrolactone 811.23
    1-methoxy-2-propanol 115.11
    pyridine 304.54
    3-pentanone 147.81
    furfural 714.07
    n-dodecane 3.26
    diethylene glycol 129.07
    diisopropyl ether 37.63
    tert-amyl alcohol 59.92
    acetylacetone 350.41
    n-hexadecane 3.97
    acetophenone 204.42
    methyl propionate 247.23
    isopentyl acetate 123.75
    trichloroethylene 1148.74
    n-nonanol 23.44
    cyclohexanol 61.76
    benzyl alcohol 106.56
    2-ethylhexanol 35.67
    isooctanol 22.44
    dipropyl ether 58.79
    1,2-dichlorobenzene 236.4
    ethyl lactate 89.66
    propylene carbonate 391.53
    n-methylformamide 301.9
    2-pentanol 25.47
    n-pentane 5.61
    1-propoxy-2-propanol 78.59
    1-methoxy-2-propyl acetate 174.38
    2-(2-methoxypropoxy) propanol 79.23
    mesitylene 38.75
    ε-caprolactone 309.77
    p-cymene 44.76
    epichlorohydrin 747.04
    1,1,1-trichloroethane 447.3
    2-aminoethanol 40.29
    morpholine-4-carbaldehyde 514.15
    sulfolane 898.78
    2,2,4-trimethylpentane 6.69
    2-methyltetrahydrofuran 265.13
    n-hexyl acetate 93.62
    isooctane 3.52
    2-(2-butoxyethoxy)ethanol 78.45
    sec-butyl acetate 100.89
    tert-butyl acetate 169.69
    decalin 14.09
    glycerin 72.31
    diglyme 277.72
    acrylic acid 198.5
    isopropyl myristate 37.04
    n-butyric acid 135.72
    acetyl acetate 319.07
    di(2-ethylhexyl) phthalate 42.29
    ethyl propionate 169.88
    nitromethane 1060.44
    1,2-diethoxyethane 103.47
    benzonitrile 162.1
    trioctyl phosphate 29.71
    1-bromopropane 121.27
    gamma-valerolactone 570.48
    n-decanol 17.19
    triethyl phosphate 106.76
    4-methyl-2-pentanol 19.24
    propionitrile 136.74
    vinylene carbonate 395.14
    1,1,2-trichlorotrifluoroethane 537.33
    DMS 191.98
    cumene 41.38
    2-octanol 17.88
    2-hexanone 102.4
    octyl acetate 47.56
    limonene 56.3
    1,2-dimethoxyethane 288.59
    ethyl orthosilicate 87.83
    tributyl phosphate 43.87
    diacetone alcohol 133.21
    N,N-dimethylaniline 112.02
    acrylonitrile 257.47
    aniline 108.83
    1,3-propanediol 64.14
    bromobenzene 178.31
    dibromomethane 456.15
    1,1,2,2-tetrachloroethane 691.96
    2-methyl-cyclohexyl acetate 114.18
    tetrabutyl urea 57.09
    diisobutyl methanol 24.59
    2-phenylethanol 97.43
    styrene 68.38
    dioctyl adipate 72.66
    dimethyl sulfate 491.18
    ethyl butyrate 142.47
    methyl lactate 125.22
    butyl lactate 54.91
    diethyl carbonate 131.89
    propanediol butyl ether 45.37
    triethyl orthoformate 102.21
    p-tert-butyltoluene 41.82
    methyl 4-tert-butylbenzoate 128.6
    morpholine 277.22
    tert-butylamine 36.67
    n-dodecanol 13.45
    dimethoxymethane 317.88
    ethylene carbonate 294.37
    cyrene 152.12
    2-ethoxyethyl acetate 139.32
    2-ethylhexyl acetate 106.56
    1,2,4-trichlorobenzene 278.44
    4-methylpyridine 236.52
    dibutyl ether 39.74
    2,6-dimethyl-4-heptanol 24.59
    DEF 257.02
    dimethyl isosorbide 237.0
    tetrachloroethylene 589.28
    eugenol 103.57
    triacetin 150.77
    span 80 52.78
    1,4-butanediol 29.13
    1,1-dichloroethane 306.74
    2-methyl-1-pentanol 30.96
    methyl formate 357.85
    2-methyl-1-butanol 28.83
    n-decane 5.38
    butyronitrile 101.78
    3,7-dimethyl-1-octanol 26.36
    1-chlorooctane 27.79
    1-chlorotetradecane 11.73
    n-nonane 4.93
    undecane 4.05
    tert-butylcyclohexane 10.01
    cyclooctane 7.79
    cyclopentanol 84.75
    tetrahydropyran 167.77
    tert-amyl methyl ether 81.69
    2,5,8-trioxanonane 160.05
    1-hexene 19.42
    2-isopropoxyethanol 86.63
    2,2,2-trifluoroethanol 251.26
    methyl butyrate 201.98

    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