2,6-Dimethoxybenzoic Acid

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  • Identifiers

    CAS number
    1466-76-8

    Molecular formula
    C9H10O4

    SMILES
    COC1=C(C(=CC=C1)OC)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 58.77%
    Phenolic 47.77%
    Floral 39.31%
    Spicy 37.27%
    Vanilla 36.54%
    Herbal 35.24%
    Aromatic 32.51%
    Balsamic 32.46%
    Fruity 32.08%
    Woody 30.35%

     

    Flavor
    Sweet 30.57%
    Phenolic 27.73%
    Fruity 26.61%
    Odorless 25.81%
    Woody 25.69%
    Faint 25.29%
    Herbal 25.25%
    Powdery 24.93%
    Balsam 22.98%
    Spice 22.73%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    0.7

    pKa est.
    6.3 (neutral)

    Molecular weight
    182.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    330°C

    Melting point expt.

    • 186 °C

    Flash point

    • 137.91 ˚C est.

  • Synonyms

    • 2,6-DIMETHOXYBENZOIC ACID
    • 1466-76-8
    • Benzoic acid, 2,6-dimethoxy-
    • G6B3P1LO43
    • DTXSID4046999
    • NSC-28591
    • DTXCID2026999
    • RefChem:445626
    • 215-985-4
    • 2,6-dimethoxy-benzoic acid
    • MFCD00002437
    • NSC 28591
    • CHEMBL488609
    • 2,6-Dimethoxybenzoicacid
    • EINECS 215-985-4
    • UNII-G6B3P1LO43
    • NSC28591
    • Benzoic acid,6-dimethoxy-
    • SCHEMBL149926
    • SCHEMBL444923
    • orb1303789
    • SCHEMBL8189198
    • CHEBI:89493
    • 2,6-Dimethoxybenzoic acid, 98%
    • BB_SC-12899
    • Tox21_301998
    • BBL019844
    • BDBM50336492
    • s6323
    • SBB040529
    • STL254426
    • AKOS000119532
    • AC-2484
    • EBC-152231
    • NCGC00256127-01
    • AS-12084
    • HY-76504
    • PD065269
    • ST098722
    • SY001616
    • CAS-1466-76-8
    • DB-042854
    • CS-0000047
    • D1959
    • NS00021669
    • EN300-18337
    • AE-562/41973422
    • F209887
    • Q27161685
    • Z57915361
    • F2191-0137
    • 2,6-Dimethoxybenzoic acid, Vetec(TM) reagent grade, 98%
    • InChI=1/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11
    • 1466-76-8

  • Applications

    2,6-Dimethoxybenzoic Acid (CAS 1466-76-8) is used primarily as an intermediate in the synthesis of complex organic compounds, notably in pharmaceutical and agrochemical development, and as a building block for benzoic acid derivatives and related intermediates for pharmaceutical research and development. In fragrance and flavor chemistry, it may function as a precursor to aroma-related compounds. In polymer and coating applications, it can act as a precursor or functionalized benzoic acid building block to enable downstream functionalization or to impart stability in specialty plastics and coatings. It may also find use in materials science as a starting point for new aromatic compounds, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 109.68
    methanol 166.66
    isopropanol 55.72
    water 0.74
    ethyl acetate 53.07
    n-propanol 66.07
    acetone 139.07
    n-butanol 58.2
    acetonitrile 71.77
    DMF 537.32
    toluene 22.43
    isobutanol 42.82
    1,4-dioxane 152.05
    methyl acetate 71.03
    THF 314.16
    2-butanone 73.21
    n-pentanol 44.7
    sec-butanol 35.83
    n-hexane 2.78
    ethylene glycol 136.18
    NMP 217.89
    cyclohexane 5.09
    DMSO 622.95
    n-butyl acetate 28.77
    n-octanol 25.9
    chloroform 131.43
    n-propyl acetate 32.78
    acetic acid 55.13
    dichloromethane 168.76
    cyclohexanone 103.36
    propylene glycol 71.08
    isopropyl acetate 28.58
    DMAc 228.33
    2-ethoxyethanol 115.02
    isopentanol 39.36
    n-heptane 3.69
    ethyl formate 88.78
    1,2-dichloroethane 126.73
    n-hexanol 49.31
    2-methoxyethanol 289.92
    isobutyl acetate 21.8
    tetrachloromethane 25.5
    n-pentyl acetate 22.29
    transcutol 53.81
    n-heptanol 25.37
    ethylbenzene 17.18
    MIBK 40.89
    2-propoxyethanol 124.17
    tert-butanol 64.6
    MTBE 28.34
    2-butoxyethanol 54.24
    propionic acid 49.4
    o-xylene 19.2
    formic acid 71.8
    diethyl ether 36.15
    m-xylene 21.99
    p-xylene 21.09
    chlorobenzene 42.7
    dimethyl carbonate 65.36
    n-octane 2.09
    formamide 130.43
    cyclopentanone 175.47
    2-pentanone 68.04
    anisole 48.64
    cyclopentyl methyl ether 72.9
    gamma-butyrolactone 190.26
    1-methoxy-2-propanol 154.2
    pyridine 85.73
    3-pentanone 46.75
    furfural 191.44
    n-dodecane 2.61
    diethylene glycol 184.38
    diisopropyl ether 9.76
    tert-amyl alcohol 39.08
    acetylacetone 97.35
    n-hexadecane 3.05
    acetophenone 49.43
    methyl propionate 74.9
    isopentyl acetate 25.61
    trichloroethylene 180.3
    n-nonanol 23.51
    cyclohexanol 48.15
    benzyl alcohol 61.69
    2-ethylhexanol 26.09
    isooctanol 19.44
    dipropyl ether 22.71
    1,2-dichlorobenzene 47.01
    ethyl lactate 41.14
    propylene carbonate 88.23
    n-methylformamide 234.32
    2-pentanol 26.92
    n-pentane 2.72
    1-propoxy-2-propanol 57.97
    1-methoxy-2-propyl acetate 47.22
    2-(2-methoxypropoxy) propanol 43.69
    mesitylene 15.24
    ε-caprolactone 73.28
    p-cymene 14.13
    epichlorohydrin 236.39
    1,1,1-trichloroethane 72.19
    2-aminoethanol 117.76
    morpholine-4-carbaldehyde 215.51
    sulfolane 309.48
    2,2,4-trimethylpentane 2.12
    2-methyltetrahydrofuran 98.43
    n-hexyl acetate 32.22
    isooctane 2.12
    2-(2-butoxyethoxy)ethanol 53.07
    sec-butyl acetate 18.54
    tert-butyl acetate 34.59
    decalin 4.74
    glycerin 133.02
    diglyme 98.23
    acrylic acid 56.73
    isopropyl myristate 15.85
    n-butyric acid 57.19
    acetyl acetate 36.05
    di(2-ethylhexyl) phthalate 22.43
    ethyl propionate 34.78
    nitromethane 165.08
    1,2-diethoxyethane 23.39
    benzonitrile 56.1
    trioctyl phosphate 20.44
    1-bromopropane 47.64
    gamma-valerolactone 200.94
    n-decanol 18.78
    triethyl phosphate 25.86
    4-methyl-2-pentanol 18.73
    propionitrile 60.57
    vinylene carbonate 88.12
    1,1,2-trichlorotrifluoroethane 188.97
    DMS 37.72
    cumene 14.61
    2-octanol 16.35
    2-hexanone 40.13
    octyl acetate 21.83
    limonene 18.49
    1,2-dimethoxyethane 165.92
    ethyl orthosilicate 20.91
    tributyl phosphate 20.23
    diacetone alcohol 70.42
    N,N-dimethylaniline 38.22
    acrylonitrile 95.63
    aniline 41.63
    1,3-propanediol 129.59
    bromobenzene 41.24
    dibromomethane 100.44
    1,1,2,2-tetrachloroethane 152.41
    2-methyl-cyclohexyl acetate 28.7
    tetrabutyl urea 33.04
    diisobutyl methanol 15.82
    2-phenylethanol 55.69
    styrene 20.0
    dioctyl adipate 24.91
    dimethyl sulfate 139.89
    ethyl butyrate 28.54
    methyl lactate 78.9
    butyl lactate 27.34
    diethyl carbonate 23.05
    propanediol butyl ether 44.67
    triethyl orthoformate 21.37
    p-tert-butyltoluene 14.47
    methyl 4-tert-butylbenzoate 46.8
    morpholine 159.91
    tert-butylamine 29.22
    n-dodecanol 14.87
    dimethoxymethane 252.12
    ethylene carbonate 68.92
    cyrene 77.02
    2-ethoxyethyl acetate 30.73
    2-ethylhexyl acetate 19.97
    1,2,4-trichlorobenzene 49.46
    4-methylpyridine 76.85
    dibutyl ether 16.18
    2,6-dimethyl-4-heptanol 15.82
    DEF 95.61
    dimethyl isosorbide 81.74
    tetrachloroethylene 102.81
    eugenol 52.46
    triacetin 31.18
    span 80 37.63
    1,4-butanediol 66.32
    1,1-dichloroethane 71.42
    2-methyl-1-pentanol 30.11
    methyl formate 209.2
    2-methyl-1-butanol 35.84
    n-decane 3.54
    butyronitrile 64.01
    3,7-dimethyl-1-octanol 21.36
    1-chlorooctane 15.84
    1-chlorotetradecane 8.03
    n-nonane 3.14
    undecane 2.99
    tert-butylcyclohexane 4.27
    cyclooctane 2.42
    cyclopentanol 73.37
    tetrahydropyran 78.95
    tert-amyl methyl ether 24.78
    2,5,8-trioxanonane 74.93
    1-hexene 11.58
    2-isopropoxyethanol 60.4
    2,2,2-trifluoroethanol 41.42
    methyl butyrate 53.35

    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