(3-Methoxyphenyl)acetic acid

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  • Identifiers

    CAS number
    1798-09-0

    Molecular formula
    C9H10O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Honey 65.29%
    Floral 65.26%
    Sweet 62.81%
    Phenolic 48.39%
    Animal 48.0%
    Powdery 44.88%
    Balsamic 39.59%
    Vanilla 33.05%
    Dry 31.43%
    Aromatic 30.99%

     

    Flavor
    Sweet 65.18%
    Floral 39.78%
    Sour 38.97%
    Honey 33.95%
    Mild 32.95%
    Waxy 30.07%
    Balsam 30.02%
    Odorless 28.23%
    Balsamic 26.96%
    Flower 26.49%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    7.13 (neutral)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    315°C

    Flash point

    • 146.53 ˚C est.

  • Synonyms

    • 3-Methoxyphenylacetic acid
    • 1798-09-0
    • 2-(3-methoxyphenyl)acetic acid
    • (3-Methoxyphenyl)acetic acid
    • 3-Methoxybenzeneacetic acid
    • ACETIC ACID, (m-METHOXYPHENYL)-
    • 25XLO0T6MY
    • DTXSID70170865
    • RefChem:503277
    • DTXCID4093356
    • 217-282-8
    • Benzeneacetic acid, 3-methoxy-
    • m-Methoxyphenylacetic acid
    • MFCD00004334
    • (3-Methoxy-phenyl)-acetic acid
    • 3-MethoxyphenylaceticAcid
    • m-methoxyphenyl acetic acid
    • (m-Methoxyphenyl)acetic acid
    • 3-Methoxyphenylacetic acid;m-Methoxyphenylacetic acid, P-Methoxyphenylacetic acid, Anisylacetic acid, m-OMePAA
    • EINECS 217-282-8
    • UNII-25XLO0T6MY
    • BRN 2614004
    • m-Anisyl-acetic acid
    • M-ANISYLACETIC ACID
    • 3-methoxy phenylacetic acid
    • 3-methoxy-phenylacetic acid
    • 3-methoxyphenyl acetic acid
    • 4-10-00-00541 (Beilstein Handbook Reference)
    • SCHEMBL229067
    • (3-methoxyphenyl) acetic acid
    • (3-methoxyphenyl)-acetic acid
    • 3-methoxy-2-phenylacetic acid
    • CHEMBL345053
    • orb1311053
    • SCHEMBL15513856
    • SCHEMBL22344568
    • SCHEMBL29824310
    • 2-(3-methoxylphenyl)acetic acid
    • CHEBI:88719
    • [3-(methyloxy)phenyl]acetic acid
    • 3-Methoxyphenylacetic acid, >=99%
    • AC-571
    • CK2074
    • s6013
    • SBB042511
    • STL164367
    • AKOS000120192
    • CS-W016059
    • EBC-153081
    • FM25337
    • HY-W015343
    • PS-5820
    • SY001372
    • DB-012968
    • M0858
    • NS00014725
    • ST50406154
    • EN300-20581
    • 798M090
    • AE-562/43380772
    • F788391
    • Q10395569
    • F2191-0029
    • Z104478986
    • InChI=1/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11
    • 1798-09-0

  • Applications

    (3-Methoxyphenyl)acetic acid (CAS 1798-09-0) is predominantly used as a synthetic building block in organic synthesis. It is commonly evaluated as an intermediate for pharmaceutical synthesis and for preparation of arylacetic acid–type drug molecules. In fragrance and flavor applications, it serves as a precursor to aroma compounds and fragrance esters, contributing to perfumery and flavor formulations. In cosmetics and personal care, it may be employed as a fragrance ingredient or as a precursor for related ester derivatives. In polymer and materials science, the acid can be used to prepare functionalized monomers and additives for specialty polymers and coatings. It also finds use in industrial manufacturing as a chemical intermediate to access related phenyl ether/ester compounds.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 130.09
    methanol 209.18
    isopropanol 76.75
    water 11.62
    ethyl acetate 39.9
    n-propanol 82.27
    acetone 154.79
    n-butanol 61.02
    acetonitrile 40.17
    DMF 477.6
    toluene 6.34
    isobutanol 49.01
    1,4-dioxane 64.82
    methyl acetate 63.36
    THF 205.91
    2-butanone 78.79
    n-pentanol 43.46
    sec-butanol 59.03
    n-hexane 1.91
    ethylene glycol 105.48
    NMP 456.14
    cyclohexane 0.76
    DMSO 809.03
    n-butyl acetate 33.81
    n-octanol 22.9
    chloroform 18.83
    n-propyl acetate 33.28
    acetic acid 129.33
    dichloromethane 24.56
    cyclohexanone 82.92
    propylene glycol 108.57
    isopropyl acetate 28.13
    DMAc 393.8
    2-ethoxyethanol 118.69
    isopentanol 44.74
    n-heptane 1.68
    ethyl formate 36.59
    1,2-dichloroethane 27.57
    n-hexanol 38.0
    2-methoxyethanol 200.86
    isobutyl acetate 19.62
    tetrachloromethane 6.65
    n-pentyl acetate 19.88
    transcutol 402.79
    n-heptanol 18.49
    ethylbenzene 7.53
    MIBK 39.38
    2-propoxyethanol 99.36
    tert-butanol 96.37
    MTBE 39.93
    2-butoxyethanol 49.3
    propionic acid 93.15
    o-xylene 11.27
    formic acid 168.72
    diethyl ether 31.43
    m-xylene 10.77
    p-xylene 8.23
    chlorobenzene 13.41
    dimethyl carbonate 59.27
    n-octane 0.57
    formamide 250.89
    cyclopentanone 174.45
    2-pentanone 58.31
    anisole 43.11
    cyclopentyl methyl ether 66.14
    gamma-butyrolactone 207.19
    1-methoxy-2-propanol 151.09
    pyridine 33.77
    3-pentanone 44.29
    furfural 149.07
    n-dodecane 0.62
    diethylene glycol 126.3
    diisopropyl ether 11.26
    tert-amyl alcohol 78.15
    acetylacetone 86.38
    n-hexadecane 0.7
    acetophenone 52.34
    methyl propionate 64.8
    isopentyl acetate 32.92
    trichloroethylene 56.47
    n-nonanol 18.97
    cyclohexanol 35.66
    benzyl alcohol 39.93
    2-ethylhexanol 21.14
    isooctanol 15.14
    dipropyl ether 20.54
    1,2-dichlorobenzene 20.28
    ethyl lactate 42.94
    propylene carbonate 85.45
    n-methylformamide 193.7
    2-pentanol 37.73
    n-pentane 1.37
    1-propoxy-2-propanol 68.51
    1-methoxy-2-propyl acetate 59.56
    2-(2-methoxypropoxy) propanol 87.58
    mesitylene 7.86
    ε-caprolactone 79.89
    p-cymene 9.28
    epichlorohydrin 156.37
    1,1,1-trichloroethane 21.63
    2-aminoethanol 130.89
    morpholine-4-carbaldehyde 239.21
    sulfolane 374.19
    2,2,4-trimethylpentane 2.0
    2-methyltetrahydrofuran 101.76
    n-hexyl acetate 39.06
    isooctane 1.36
    2-(2-butoxyethoxy)ethanol 102.47
    sec-butyl acetate 23.21
    tert-butyl acetate 47.3
    decalin 1.89
    glycerin 184.91
    diglyme 172.79
    acrylic acid 109.04
    isopropyl myristate 14.58
    n-butyric acid 63.25
    acetyl acetate 29.85
    di(2-ethylhexyl) phthalate 23.11
    ethyl propionate 35.63
    nitromethane 248.54
    1,2-diethoxyethane 44.86
    benzonitrile 26.02
    trioctyl phosphate 16.72
    1-bromopropane 10.18
    gamma-valerolactone 188.0
    n-decanol 13.63
    triethyl phosphate 26.36
    4-methyl-2-pentanol 21.86
    propionitrile 29.6
    vinylene carbonate 66.8
    1,1,2-trichlorotrifluoroethane 144.12
    DMS 50.17
    cumene 8.6
    2-octanol 12.21
    2-hexanone 43.06
    octyl acetate 20.69
    limonene 12.92
    1,2-dimethoxyethane 134.86
    ethyl orthosilicate 22.81
    tributyl phosphate 22.3
    diacetone alcohol 90.82
    N,N-dimethylaniline 38.67
    acrylonitrile 46.32
    aniline 27.81
    1,3-propanediol 108.42
    bromobenzene 8.93
    dibromomethane 13.36
    1,1,2,2-tetrachloroethane 46.95
    2-methyl-cyclohexyl acetate 32.78
    tetrabutyl urea 31.9
    diisobutyl methanol 13.28
    2-phenylethanol 34.8
    styrene 7.71
    dioctyl adipate 30.25
    dimethyl sulfate 158.45
    ethyl butyrate 29.54
    methyl lactate 81.57
    butyl lactate 35.14
    diethyl carbonate 25.17
    propanediol butyl ether 83.37
    triethyl orthoformate 26.77
    p-tert-butyltoluene 9.36
    methyl 4-tert-butylbenzoate 56.85
    morpholine 107.17
    tert-butylamine 40.41
    n-dodecanol 9.71
    dimethoxymethane 152.82
    ethylene carbonate 48.93
    cyrene 97.14
    2-ethoxyethyl acetate 41.27
    2-ethylhexyl acetate 25.76
    1,2,4-trichlorobenzene 29.15
    4-methylpyridine 39.33
    dibutyl ether 15.88
    2,6-dimethyl-4-heptanol 13.28
    DEF 85.58
    dimethyl isosorbide 126.29
    tetrachloroethylene 32.02
    eugenol 55.77
    triacetin 62.58
    span 80 58.01
    1,4-butanediol 55.89
    1,1-dichloroethane 17.39
    2-methyl-1-pentanol 36.65
    methyl formate 126.38
    2-methyl-1-butanol 49.23
    n-decane 1.07
    butyronitrile 24.07
    3,7-dimethyl-1-octanol 21.96
    1-chlorooctane 7.39
    1-chlorotetradecane 2.72
    n-nonane 1.0
    undecane 0.79
    tert-butylcyclohexane 2.29
    cyclooctane 0.55
    cyclopentanol 61.08
    tetrahydropyran 43.78
    tert-amyl methyl ether 39.37
    2,5,8-trioxanonane 132.87
    1-hexene 7.41
    2-isopropoxyethanol 71.46
    2,2,2-trifluoroethanol 77.12
    methyl butyrate 45.65

    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