3-Methoxybenzoic Acid

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  • Identifiers

    CAS number
    586-38-9

    Molecular formula
    C8H8O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 62.53%
    Sweet 58.83%
    Vanilla 53.92%
    Balsamic 47.54%
    Powdery 40.35%
    Aromatic 40.01%
    Floral 36.5%
    Animal 35.68%
    Creamy 34.69%
    Spicy 34.67%

     

    Flavor
    Sweet 60.31%
    Balsam 46.7%
    Faint 40.97%
    Phenolic 40.18%
    Balsamic 36.52%
    Powdery 33.3%
    Nutty 31.62%
    Odorless 30.64%
    Creamy 29.33%
    Vanilla 28.14%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    6.72 (neutral)

    Molecular weight
    152.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 110.5 °C

    Boiling point

    • 170.00 to 172.00 °C. @ 10.00 mm Hg

    Flash point

    • 134.67 ˚C est.

    Solubility expt.

    • soluble in boiling water, organic solvents
    • freely soluble (in ethanol)

  • Synonyms

    • 3-METHOXYBENZOIC ACID
    • 586-38-9
    • m-Anisic acid
    • m-Methoxybenzoic acid
    • Benzoic acid, 3-methoxy-
    • 3-Anisic acid
    • MFCD00002499
    • 3-Methoxy-benzoic acid
    • m-Anisic-acid
    • UNII-E2I36FH6QZ
    • NSC 9264
    • EINECS 209-574-9
    • E2I36FH6QZ
    • NSC 27014
    • BRN 0508838
    • CHEBI:88458
    • m-Anisic acid, 8CI
    • AI3-24163
    • 3-methoxy benzoic acid
    • NSC-9264
    • NSC-27014
    • BENZOIC ACID,3-METHOXY
    • DTXSID2060410
    • FEMA NO. 3944
    • 4-10-00-00316 (Beilstein Handbook Reference)
    • 3-METHOXYBENZOIC ACID [FHFI]
    • WLN: QVR CO1
    • m-Methylsalicylic acid
    • mAnisic acid
    • 3Anisic acid
    • FEMA 3944
    • 3-methoxy-benzoate
    • mMethoxybenzoic acid
    • OVM
    • 3methoxybenzoic acid
    • 5-methoxybenzoic acid
    • 3-methoxylbenzoic acid
    • m-methoxy benzoic acid
    • 5-methoxy-benzoic acid
    • Benzoic acid, 3methoxy
    • 3-METHOXYBENZOICACID
    • m-Anisic acid, >=98%
    • SCHEMBL63427
    • CHEMBL22425
    • DTXCID7042437
    • NSC9264
    • CS-D1416
    • HY-Y0760
    • NSC27014
    • AB2884
    • s6025
    • STK498490
    • AKOS000119695
    • BS-3836
    • FM37687
    • AC-10896
    • SY002325
    • A1070
    • NS00015702
    • 3-Methoxybenzoic acid, ReagentPlus(R), 99%
    • EN300-18375
    • AE-562/40299919
    • 3-Methoxybenzoic acid, Vetec(TM) reagent grade, 98%
    • Q63395840
    • Z57127526
    • F2191-0079

  • Applications

    3-Methoxybenzoic acid (CAS 586-38-9) is primarily used as a building block in organic synthesis across multiple industries. It serves as an intermediate for pharmaceutical and agrochemical compounds, enabling subsequent formation of esters, amides, and other derivatives. It is also employed as a precursor in fragrance and flavor chemistry, contributing to aroma compound syntheses. In the dye and pigment sector, it provides a substituted benzoic acid scaffold for dye synthesis. It may be used in polymer and coating applications as a starting point for polyester and other specialty polymers. It can also be explored in research and development as a versatile building block for additional methoxybenzoic acid derivatives. Use is typically formulation- and regulation-dependent.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 146.91
    methanol 193.36
    isopropanol 110.55
    water 2.76
    ethyl acetate 80.27
    n-propanol 107.86
    acetone 180.04
    n-butanol 77.52
    acetonitrile 124.23
    DMF 420.18
    toluene 21.11
    isobutanol 70.3
    1,4-dioxane 213.99
    methyl acetate 164.96
    THF 240.09
    2-butanone 144.58
    n-pentanol 53.58
    sec-butanol 89.6
    n-hexane 1.32
    ethylene glycol 88.57
    NMP 236.91
    cyclohexane 2.75
    DMSO 423.09
    n-butyl acetate 39.23
    n-octanol 38.49
    chloroform 71.81
    n-propyl acetate 45.27
    acetic acid 94.18
    dichloromethane 176.25
    cyclohexanone 102.73
    propylene glycol 63.14
    isopropyl acetate 37.39
    DMAc 386.05
    2-ethoxyethanol 130.98
    isopentanol 62.94
    n-heptane 4.01
    ethyl formate 84.36
    1,2-dichloroethane 114.13
    n-hexanol 49.61
    2-methoxyethanol 223.72
    isobutyl acetate 21.9
    tetrachloromethane 10.9
    n-pentyl acetate 29.81
    transcutol 157.07
    n-heptanol 35.19
    ethylbenzene 20.4
    MIBK 41.78
    2-propoxyethanol 95.77
    tert-butanol 177.83
    MTBE 75.27
    2-butoxyethanol 66.44
    propionic acid 84.16
    o-xylene 29.9
    formic acid 81.0
    diethyl ether 51.84
    m-xylene 23.62
    p-xylene 26.98
    chlorobenzene 31.5
    dimethyl carbonate 59.86
    n-octane 2.6
    formamide 222.15
    cyclopentanone 170.81
    2-pentanone 72.46
    anisole 69.68
    cyclopentyl methyl ether 62.75
    gamma-butyrolactone 211.74
    1-methoxy-2-propanol 127.36
    pyridine 99.47
    3-pentanone 60.08
    furfural 160.8
    n-dodecane 3.71
    diethylene glycol 106.0
    diisopropyl ether 13.94
    tert-amyl alcohol 129.07
    acetylacetone 83.43
    n-hexadecane 4.03
    acetophenone 65.2
    methyl propionate 93.33
    isopentyl acetate 36.93
    trichloroethylene 160.61
    n-nonanol 36.58
    cyclohexanol 50.14
    benzyl alcohol 59.5
    2-ethylhexanol 31.84
    isooctanol 29.5
    dipropyl ether 29.81
    1,2-dichlorobenzene 39.54
    ethyl lactate 34.66
    propylene carbonate 86.07
    n-methylformamide 219.71
    2-pentanol 45.79
    n-pentane 1.94
    1-propoxy-2-propanol 59.3
    1-methoxy-2-propyl acetate 55.87
    2-(2-methoxypropoxy) propanol 74.59
    mesitylene 16.21
    ε-caprolactone 91.59
    p-cymene 19.84
    epichlorohydrin 249.96
    1,1,1-trichloroethane 58.68
    2-aminoethanol 116.19
    morpholine-4-carbaldehyde 242.97
    sulfolane 231.67
    2,2,4-trimethylpentane 3.08
    2-methyltetrahydrofuran 125.58
    n-hexyl acetate 44.84
    isooctane 2.25
    2-(2-butoxyethoxy)ethanol 90.03
    sec-butyl acetate 27.19
    tert-butyl acetate 48.19
    decalin 4.02
    glycerin 88.74
    diglyme 169.41
    acrylic acid 75.28
    isopropyl myristate 25.01
    n-butyric acid 65.13
    acetyl acetate 46.6
    di(2-ethylhexyl) phthalate 28.59
    ethyl propionate 40.01
    nitromethane 244.38
    1,2-diethoxyethane 56.58
    benzonitrile 53.63
    trioctyl phosphate 22.93
    1-bromopropane 40.55
    gamma-valerolactone 191.67
    n-decanol 30.93
    triethyl phosphate 29.47
    4-methyl-2-pentanol 28.29
    propionitrile 84.27
    vinylene carbonate 82.35
    1,1,2-trichlorotrifluoroethane 125.7
    DMS 46.93
    cumene 18.05
    2-octanol 24.17
    2-hexanone 46.54
    octyl acetate 33.82
    limonene 26.0
    1,2-dimethoxyethane 193.57
    ethyl orthosilicate 27.58
    tributyl phosphate 23.54
    diacetone alcohol 82.8
    N,N-dimethylaniline 56.78
    acrylonitrile 122.61
    aniline 47.14
    1,3-propanediol 122.95
    bromobenzene 27.73
    dibromomethane 71.54
    1,1,2,2-tetrachloroethane 101.47
    2-methyl-cyclohexyl acetate 39.49
    tetrabutyl urea 38.96
    diisobutyl methanol 22.83
    2-phenylethanol 53.61
    styrene 21.82
    dioctyl adipate 39.66
    dimethyl sulfate 107.35
    ethyl butyrate 37.6
    methyl lactate 55.79
    butyl lactate 29.01
    diethyl carbonate 32.88
    propanediol butyl ether 53.78
    triethyl orthoformate 30.54
    p-tert-butyltoluene 19.28
    methyl 4-tert-butylbenzoate 63.1
    morpholine 212.28
    tert-butylamine 77.95
    n-dodecanol 25.72
    dimethoxymethane 186.67
    ethylene carbonate 65.44
    cyrene 89.41
    2-ethoxyethyl acetate 50.3
    2-ethylhexyl acetate 28.44
    1,2,4-trichlorobenzene 50.48
    4-methylpyridine 90.63
    dibutyl ether 28.15
    2,6-dimethyl-4-heptanol 22.83
    DEF 111.92
    dimethyl isosorbide 118.04
    tetrachloroethylene 57.7
    eugenol 64.03
    triacetin 54.71
    span 80 53.32
    1,4-butanediol 55.06
    1,1-dichloroethane 74.57
    2-methyl-1-pentanol 48.83
    methyl formate 169.53
    2-methyl-1-butanol 62.43
    n-decane 4.76
    butyronitrile 61.11
    3,7-dimethyl-1-octanol 35.0
    1-chlorooctane 19.4
    1-chlorotetradecane 10.53
    n-nonane 4.0
    undecane 4.18
    tert-butylcyclohexane 4.05
    cyclooctane 1.66
    cyclopentanol 73.18
    tetrahydropyran 92.8
    tert-amyl methyl ether 59.51
    2,5,8-trioxanonane 137.45
    1-hexene 8.67
    2-isopropoxyethanol 79.42
    2,2,2-trifluoroethanol 55.9
    methyl butyrate 58.18

    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