3-Methoxysalicylic acid

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  • Identifiers

    CAS number
    877-22-5

    Molecular formula
    C8H8O4

    SMILES
    COC1=CC=CC(=C1O)C(=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 66.81%
    Sweet 62.3%
    Vanilla 62.16%
    Balsamic 52.25%
    Spicy 39.33%
    Creamy 38.75%
    Powdery 37.69%
    Smoky 36.44%
    Aromatic 34.19%
    Odorless 34.01%

     

    Flavor
    Sweet 61.75%
    Phenolic 55.02%
    Mild 36.92%
    Creamy 35.73%
    Powdery 35.65%
    Faint 35.04%
    Vanilla 34.99%
    Odorless 34.05%
    Balsamic 32.01%
    Caramel 29.53%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.25 (neutral)

    Molecular weight
    168.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    326°C

    Flash point

    • 153.63 ˚C est.

  • Synonyms

    • 3-Methoxysalicylic acid
    • 2-Hydroxy-3-methoxybenzoic acid
    • 877-22-5
    • o-Vanillic acid
    • m-Anisic acid, 2-hydroxy-
    • 3J31Y0E2IM
    • NSC-134533
    • NSC-408167
    • CHEBI:68496
    • DTXSID20236566
    • RefChem:94666
    • DTXCID50159057
    • 212-888-9
    • Benzoic acid, 2-hydroxy-3-methoxy-
    • Acide orthovanillique
    • MFCD00002445
    • 3-Hydroxy-m-anisic acid
    • 2-hydroxy-3-methoxy-benzoic acid
    • 2-Hydroxy-3-Methoxy Benzoic Acid
    • WLN: QVR BQ CO1
    • 3-Methoxysalicylicacid
    • EINECS 212-888-9
    • NSC 134533
    • NSC 408167
    • BRN 2209642
    • UNII-3J31Y0E2IM
    • 3-methoxy-2-hydroxybenzoic acid
    • 3-methoxy-salicylic acid
    • Guaiacol-3-carboxylic Acid
    • SCHEMBL5458
    • 3-10-00-01363 (Beilstein Handbook Reference)
    • CHEMBL450441
    • SCHEMBL5463966
    • SCHEMBL29360359
    • 2-hydroxyl-3-methoxybenzoic acid
    • '3-methoxy-2-hydroxobenzoic acid
    • BB_NC-02251
    • SALICYLIC ACID, 3-METHOXY-
    • BBL027382
    • NSC134533
    • NSC408167
    • SBB063040
    • STL372636
    • AKOS000120843
    • CS-W017817
    • EBC-152056
    • FH71354
    • 2-Hydroxy-3-methoxybenzoic acid, 97%
    • AC-11840
    • AS-10831
    • SY014328
    • DB-021165
    • M1153
    • NS00014726
    • ST50406420
    • EN300-21507
    • F52710
    • F078999
    • Q27136978
    • Z104500498
    • InChI=1/C8H8O4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11
    • 877-22-5

  • Applications

    3-Methoxysalicylic acid (CAS 877-22-5) is primarily used as an intermediate in organic synthesis, serving as a building block for salicylate derivatives and other phenolic carboxylic compounds. In pharmaceuticals and agrochemicals, it functions as a precursor in the preparation of more complex synthetic targets. It is also evaluated as a starting material for fragrance chemistry to access aroma compounds, and may be used as a precursor in cosmetic and personal care ingredient synthesis after suitable modification. In polymer and plastics-related areas, it can act as a precursor to functionalized benzoic acid derivatives used in specialty polymers or additives for coatings and inks. Its exact use depends on local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 155.23
    methanol 279.94
    isopropanol 78.36
    water 1.59
    ethyl acetate 32.13
    n-propanol 84.03
    acetone 126.42
    n-butanol 55.02
    acetonitrile 48.17
    DMF 462.61
    toluene 4.23
    isobutanol 38.48
    1,4-dioxane 125.1
    methyl acetate 62.94
    THF 291.0
    2-butanone 59.7
    n-pentanol 45.97
    sec-butanol 39.76
    n-hexane 1.01
    ethylene glycol 149.76
    NMP 236.35
    cyclohexane 0.95
    DMSO 855.89
    n-butyl acetate 22.3
    n-octanol 28.52
    chloroform 12.85
    n-propyl acetate 26.4
    acetic acid 69.58
    dichloromethane 43.38
    cyclohexanone 60.98
    propylene glycol 69.76
    isopropyl acetate 20.11
    DMAc 218.56
    2-ethoxyethanol 148.04
    isopentanol 39.76
    n-heptane 2.71
    ethyl formate 51.14
    1,2-dichloroethane 46.24
    n-hexanol 36.8
    2-methoxyethanol 278.99
    isobutyl acetate 11.68
    tetrachloromethane 3.21
    n-pentyl acetate 20.52
    transcutol 105.48
    n-heptanol 27.87
    ethylbenzene 6.31
    MIBK 28.34
    2-propoxyethanol 106.67
    tert-butanol 111.94
    MTBE 31.26
    2-butoxyethanol 58.22
    propionic acid 47.37
    o-xylene 8.17
    formic acid 114.76
    diethyl ether 25.77
    m-xylene 8.28
    p-xylene 7.65
    chlorobenzene 9.12
    dimethyl carbonate 43.57
    n-octane 1.57
    formamide 278.33
    cyclopentanone 124.89
    2-pentanone 45.2
    anisole 30.02
    cyclopentyl methyl ether 47.62
    gamma-butyrolactone 188.09
    1-methoxy-2-propanol 140.5
    pyridine 35.17
    3-pentanone 26.3
    furfural 116.85
    n-dodecane 2.11
    diethylene glycol 137.17
    diisopropyl ether 8.11
    tert-amyl alcohol 60.77
    acetylacetone 59.6
    n-hexadecane 2.32
    acetophenone 33.37
    methyl propionate 50.16
    isopentyl acetate 19.77
    trichloroethylene 47.93
    n-nonanol 26.89
    cyclohexanol 26.97
    benzyl alcohol 33.76
    2-ethylhexanol 20.97
    isooctanol 22.64
    dipropyl ether 20.16
    1,2-dichlorobenzene 13.7
    ethyl lactate 31.06
    propylene carbonate 62.52
    n-methylformamide 246.3
    2-pentanol 27.21
    n-pentane 1.13
    1-propoxy-2-propanol 60.7
    1-methoxy-2-propyl acetate 41.05
    2-(2-methoxypropoxy) propanol 52.42
    mesitylene 7.09
    ε-caprolactone 56.73
    p-cymene 9.7
    epichlorohydrin 197.3
    1,1,1-trichloroethane 15.2
    2-aminoethanol 151.22
    morpholine-4-carbaldehyde 182.57
    sulfolane 303.58
    2,2,4-trimethylpentane 1.43
    2-methyltetrahydrofuran 82.68
    n-hexyl acetate 30.02
    isooctane 1.39
    2-(2-butoxyethoxy)ethanol 70.12
    sec-butyl acetate 13.54
    tert-butyl acetate 31.99
    decalin 1.77
    glycerin 124.19
    diglyme 124.86
    acrylic acid 47.41
    isopropyl myristate 15.85
    n-butyric acid 40.08
    acetyl acetate 21.17
    di(2-ethylhexyl) phthalate 18.57
    ethyl propionate 24.14
    nitromethane 195.48
    1,2-diethoxyethane 34.74
    benzonitrile 26.15
    trioctyl phosphate 17.25
    1-bromopropane 14.06
    gamma-valerolactone 170.65
    n-decanol 22.32
    triethyl phosphate 20.32
    4-methyl-2-pentanol 18.54
    propionitrile 36.02
    vinylene carbonate 49.94
    1,1,2-trichlorotrifluoroethane 106.85
    DMS 27.98
    cumene 7.36
    2-octanol 17.99
    2-hexanone 29.54
    octyl acetate 22.57
    limonene 13.09
    1,2-dimethoxyethane 166.56
    ethyl orthosilicate 17.55
    tributyl phosphate 15.28
    diacetone alcohol 70.65
    N,N-dimethylaniline 27.62
    acrylonitrile 61.84
    aniline 16.76
    1,3-propanediol 143.16
    bromobenzene 6.9
    dibromomethane 19.41
    1,1,2,2-tetrachloroethane 36.7
    2-methyl-cyclohexyl acetate 23.97
    tetrabutyl urea 27.26
    diisobutyl methanol 15.63
    2-phenylethanol 34.93
    styrene 5.77
    dioctyl adipate 26.25
    dimethyl sulfate 95.32
    ethyl butyrate 21.92
    methyl lactate 56.3
    butyl lactate 22.54
    diethyl carbonate 17.7
    propanediol butyl ether 47.18
    triethyl orthoformate 19.41
    p-tert-butyltoluene 9.82
    methyl 4-tert-butylbenzoate 45.6
    morpholine 151.16
    tert-butylamine 40.68
    n-dodecanol 17.79
    dimethoxymethane 190.64
    ethylene carbonate 40.35
    cyrene 76.98
    2-ethoxyethyl acetate 32.47
    2-ethylhexyl acetate 14.79
    1,2,4-trichlorobenzene 17.99
    4-methylpyridine 31.72
    dibutyl ether 17.75
    2,6-dimethyl-4-heptanol 15.63
    DEF 68.51
    dimethyl isosorbide 98.44
    tetrachloroethylene 21.77
    eugenol 46.17
    triacetin 34.09
    span 80 40.01
    1,4-butanediol 69.92
    1,1-dichloroethane 18.7
    2-methyl-1-pentanol 29.97
    methyl formate 182.59
    2-methyl-1-butanol 32.14
    n-decane 2.83
    butyronitrile 32.4
    3,7-dimethyl-1-octanol 23.67
    1-chlorooctane 11.92
    1-chlorotetradecane 6.16
    n-nonane 2.37
    undecane 2.45
    tert-butylcyclohexane 1.84
    cyclooctane 0.76
    cyclopentanol 51.17
    tetrahydropyran 47.27
    tert-amyl methyl ether 26.65
    2,5,8-trioxanonane 99.06
    1-hexene 4.55
    2-isopropoxyethanol 71.98
    2,2,2-trifluoroethanol 40.77
    methyl butyrate 34.65

    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