2,5-Dimethoxybenzoic acid

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  • Identifiers

    CAS number
    2785-98-0

    Molecular formula
    C9H10O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 70.23%
    Vanilla 59.09%
    Phenolic 51.54%
    Floral 49.07%
    Powdery 41.62%
    Balsamic 41.57%
    Spicy 39.53%
    Aromatic 37.93%
    Creamy 33.89%
    Herbal 30.86%

     

    Flavor
    Sweet 46.74%
    Powdery 33.03%
    Woody 32.67%
    Faint 31.3%
    Vanilla 28.97%
    Odorless 28.5%
    Phenolic 28.06%
    Balsam 28.0%
    Balsamic 25.84%
    Creamy 25.74%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    6.28 (neutral)

    Molecular weight
    182.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    333°C

    Flash point

    • 146.0 ˚C est.

  • Synonyms

    • 2,5-Dimethoxybenzoic acid
    • 2785-98-0
    • Benzoic acid, 2,5-dimethoxy-
    • UYB89V8QU7
    • EINECS 220-503-0
    • NSC-44887
    • DTXSID10182164
    • NSC 44887
    • RefChem:82912
    • DTXCID20104655
    • 220-503-0
    • InChI=1/C9H10O4/c1-12-6-3-4-8(13-2)7(5-6)9(10)11/h3-5H,1-2H3,(H,10,11
    • NYJBTJMNTNCTCP-UHFFFAOYSA-N
    • MFCD00002436
    • 2,5-dimethoxy-benzoic acid
    • 2,5-Dimethoxybenzoicacid
    • NSC44887
    • UNII-UYB89V8QU7
    • SCHEMBL503802
    • orb1683794
    • SCHEMBL7074830
    • CHEMBL3415517
    • 2,5-Dimethoxybenzoic acid, 98%
    • SBB063982
    • AKOS000112215
    • CS-W001936
    • EBC-152022
    • FD39716
    • HY-W001936
    • AC-23571
    • AS-14428
    • PD200172
    • SY013629
    • DB-005876
    • D1894
    • NS00028376
    • ST50405780
    • EN300-17854
    • F076548
    • Q63398198
    • Z57050098
    • F0001-0889
    • 2785-98-0

  • Applications

    2,5-Dimethoxybenzoic acid (CAS number: 2785-98-0) is commonly used as a versatile building block in organic synthesis, serving to prepare derivatives for pharmaceutical and agrochemical research; it also provides a starting point for the synthesis of heterocyclic compounds and functional derivatives such as amides, esters, or acid chlorides for further applications. In the fragrance industry, it is regarded as a precursor for aroma compounds; in the polymer and coating sectors, it can serve as a precursor to benzoate esters and other intermediates for resin and coating formulations. Additionally, it is employed in materials science and synthetic chemistry R&D to construct new benzenoid compounds and related materials.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 23.76
    methanol 37.05
    isopropanol 17.84
    water 0.98
    ethyl acetate 31.23
    n-propanol 17.73
    acetone 44.07
    n-butanol 15.26
    acetonitrile 29.96
    DMF 133.29
    toluene 9.81
    isobutanol 12.69
    1,4-dioxane 78.17
    methyl acetate 45.18
    THF 148.77
    2-butanone 30.43
    n-pentanol 11.4
    sec-butanol 12.98
    n-hexane 0.58
    ethylene glycol 28.93
    NMP 152.37
    cyclohexane 1.2
    DMSO 162.65
    n-butyl acetate 17.6
    n-octanol 8.8
    chloroform 34.57
    n-propyl acetate 18.88
    acetic acid 39.03
    dichloromethane 53.28
    cyclohexanone 48.6
    propylene glycol 12.56
    isopropyl acetate 19.66
    DMAc 160.2
    2-ethoxyethanol 40.99
    isopentanol 16.19
    n-heptane 1.22
    ethyl formate 27.2
    1,2-dichloroethane 45.39
    n-hexanol 13.69
    2-methoxyethanol 92.2
    isobutyl acetate 13.54
    tetrachloromethane 8.47
    n-pentyl acetate 10.45
    transcutol 47.94
    n-heptanol 8.95
    ethylbenzene 8.33
    MIBK 19.74
    2-propoxyethanol 41.63
    tert-butanol 47.7
    MTBE 24.39
    2-butoxyethanol 22.59
    propionic acid 23.99
    o-xylene 12.47
    formic acid 41.29
    diethyl ether 17.73
    m-xylene 10.92
    p-xylene 10.81
    chlorobenzene 16.06
    dimethyl carbonate 36.43
    n-octane 0.75
    formamide 80.17
    cyclopentanone 85.04
    2-pentanone 23.42
    anisole 29.55
    cyclopentyl methyl ether 38.31
    gamma-butyrolactone 118.84
    1-methoxy-2-propanol 46.34
    pyridine 41.0
    3-pentanone 22.01
    furfural 89.61
    n-dodecane 0.97
    diethylene glycol 55.6
    diisopropyl ether 6.58
    tert-amyl alcohol 27.56
    acetylacetone 43.09
    n-hexadecane 1.12
    acetophenone 31.67
    methyl propionate 37.89
    isopentyl acetate 19.79
    trichloroethylene 70.32
    n-nonanol 8.96
    cyclohexanol 18.79
    benzyl alcohol 22.94
    2-ethylhexanol 11.09
    isooctanol 8.71
    dipropyl ether 11.65
    1,2-dichlorobenzene 21.76
    ethyl lactate 16.1
    propylene carbonate 47.72
    n-methylformamide 61.98
    2-pentanol 9.68
    n-pentane 0.56
    1-propoxy-2-propanol 23.37
    1-methoxy-2-propyl acetate 28.89
    2-(2-methoxypropoxy) propanol 27.94
    mesitylene 7.75
    ε-caprolactone 48.1
    p-cymene 8.6
    epichlorohydrin 120.21
    1,1,1-trichloroethane 33.51
    2-aminoethanol 27.62
    morpholine-4-carbaldehyde 113.31
    sulfolane 136.8
    2,2,4-trimethylpentane 1.15
    2-methyltetrahydrofuran 65.96
    n-hexyl acetate 15.64
    isooctane 0.8
    2-(2-butoxyethoxy)ethanol 29.35
    sec-butyl acetate 14.51
    tert-butyl acetate 30.13
    decalin 1.96
    glycerin 36.26
    diglyme 60.02
    acrylic acid 26.8
    isopropyl myristate 9.19
    n-butyric acid 23.92
    acetyl acetate 28.23
    di(2-ethylhexyl) phthalate 12.17
    ethyl propionate 21.73
    nitromethane 101.14
    1,2-diethoxyethane 17.69
    benzonitrile 20.89
    trioctyl phosphate 8.86
    1-bromopropane 13.1
    gamma-valerolactone 100.38
    n-decanol 7.27
    triethyl phosphate 19.49
    4-methyl-2-pentanol 8.93
    propionitrile 22.75
    vinylene carbonate 44.74
    1,1,2-trichlorotrifluoroethane 78.27
    DMS 27.33
    cumene 7.99
    2-octanol 6.25
    2-hexanone 17.28
    octyl acetate 10.93
    limonene 10.75
    1,2-dimethoxyethane 72.23
    ethyl orthosilicate 17.39
    tributyl phosphate 10.26
    diacetone alcohol 38.23
    N,N-dimethylaniline 24.23
    acrylonitrile 35.29
    aniline 21.98
    1,3-propanediol 35.69
    bromobenzene 14.57
    dibromomethane 25.17
    1,1,2,2-tetrachloroethane 52.94
    2-methyl-cyclohexyl acetate 22.02
    tetrabutyl urea 15.27
    diisobutyl methanol 8.61
    2-phenylethanol 23.23
    styrene 8.51
    dioctyl adipate 15.06
    dimethyl sulfate 77.07
    ethyl butyrate 19.2
    methyl lactate 28.03
    butyl lactate 11.08
    diethyl carbonate 18.53
    propanediol butyl ether 15.59
    triethyl orthoformate 17.11
    p-tert-butyltoluene 8.49
    methyl 4-tert-butylbenzoate 28.83
    morpholine 84.74
    tert-butylamine 19.85
    n-dodecanol 6.15
    dimethoxymethane 85.47
    ethylene carbonate 37.8
    cyrene 45.06
    2-ethoxyethyl acetate 18.16
    2-ethylhexyl acetate 15.91
    1,2,4-trichlorobenzene 28.89
    4-methylpyridine 37.95
    dibutyl ether 8.49
    2,6-dimethyl-4-heptanol 8.61
    DEF 42.45
    dimethyl isosorbide 62.72
    tetrachloroethylene 37.72
    eugenol 27.12
    triacetin 22.54
    span 80 18.53
    1,4-butanediol 12.29
    1,1-dichloroethane 25.81
    2-methyl-1-pentanol 12.94
    methyl formate 57.68
    2-methyl-1-butanol 13.78
    n-decane 1.33
    butyronitrile 17.34
    3,7-dimethyl-1-octanol 9.71
    1-chlorooctane 5.54
    1-chlorotetradecane 3.14
    n-nonane 1.1
    undecane 1.12
    tert-butylcyclohexane 1.92
    cyclooctane 0.65
    cyclopentanol 28.28
    tetrahydropyran 38.52
    tert-amyl methyl ether 21.2
    2,5,8-trioxanonane 49.92
    1-hexene 2.8
    2-isopropoxyethanol 25.9
    2,2,2-trifluoroethanol 33.18
    methyl butyrate 26.33

    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