4-Methoxy-3-methylphenylacetic acid

Overview IFRA Request a quote

  • Identifiers

    CAS number
    4513-73-9

    Molecular formula
    C10H12O3

    SMILES
    CC1=C(C=CC(=C1)CC(=O)O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Sweet 48.69%
    Animal 44.57%
    Floral 43.62%
    Phenolic 42.89%
    Honey 40.58%
    Powdery 36.33%
    Vanilla 35.26%
    Creamy 31.56%
    Dry 30.13%
    Balsamic 29.81%

     

    Flavor
    Sweet 73.54%
    Floral 39.83%
    Woody 37.51%
    Powdery 35.17%
    Fruity 32.16%
    Mild 30.63%
    Phenolic 30.26%
    Spicy 30.15%
    Spice 27.2%
    Sour 26.02%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.51 (neutral)

    Molecular weight
    180.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    331°C

    Flash point

    • 153.76 ˚C est.

  • Synonyms

    • 4-Methoxy-3-methylphenylacetic acid
    • 4513-73-9
    • DTXSID80196399
    • RefChem:99593
    • DTXCID40118890
    • GYBWDAKGSPTODN-UHFFFAOYSA-N
    • 2-(4-methoxy-3-methylphenyl)acetic acid
    • MFCD00041034
    • (4-methoxy-3-methylphenyl)acetic acid
    • (4-Methoxy-3-methyl-phenyl)-acetic acid
    • Benzeneacetic acid, 4-methoxy-3-methyl-
    • SCHEMBL969758
    • SCHEMBL30094539
    • 3-methyl-4-methoxyphenylacetic acid
    • 4-Methoxy-3-methylbenzeneacetic acid
    • BBL008155
    • CL8793
    • SBB010652
    • STK116731
    • 4-methoxy-3-methyl-phenylacetic acid
    • 4-Methoxy-3-methylphenyl acetic acid
    • AKOS000302344
    • CS-W001167
    • DS-0873
    • FS-1548
    • AC-26156
    • BP-11400
    • SY014208
    • DB-051269
    • ST50294009
    • F018791
    • 4513-73-9

  • Applications

    4-Methoxy-3-methylphenylacetic acid (CAS 4513-73-9) is commonly used as an intermediate in fragrance chemistry and aroma compound synthesis, serving as a building block to prepare a range of ester and ether derivatives with fruity or floral notes; it is also used as an intermediate in pharmaceutical synthesis to access related phenylacetic acid derivatives; in the plastics, coatings and adhesives sectors it can be converted to esters and other derivatives for use as specialty additives or precursors; in cosmetics and personal care it may function as a fragrance precursor or fixative component within formulated products; and overall it is considered a versatile building block for further functionalization in organic synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 534.15
    methanol 807.17
    isopropanol 367.79
    water 9.57
    ethyl acetate 173.05
    n-propanol 338.82
    acetone 281.53
    n-butanol 262.12
    acetonitrile 239.73
    DMF 708.32
    toluene 38.06
    isobutanol 192.32
    1,4-dioxane 585.01
    methyl acetate 177.99
    THF 623.65
    2-butanone 158.51
    n-pentanol 179.05
    sec-butanol 198.16
    n-hexane 6.07
    ethylene glycol 220.07
    NMP 271.47
    cyclohexane 4.72
    DMSO 515.46
    n-butyl acetate 67.58
    n-octanol 52.77
    chloroform 130.69
    n-propyl acetate 72.67
    acetic acid 253.76
    dichloromethane 180.24
    cyclohexanone 162.82
    propylene glycol 186.26
    isopropyl acetate 74.21
    DMAc 368.13
    2-ethoxyethanol 389.12
    isopentanol 180.69
    n-heptane 5.22
    ethyl formate 124.85
    1,2-dichloroethane 128.38
    n-hexanol 145.06
    2-methoxyethanol 708.95
    isobutyl acetate 45.61
    tetrachloromethane 17.22
    n-pentyl acetate 38.16
    transcutol 416.22
    n-heptanol 48.15
    ethylbenzene 22.05
    MIBK 94.06
    2-propoxyethanol 290.64
    tert-butanol 510.71
    MTBE 162.67
    2-butoxyethanol 102.23
    propionic acid 162.38
    o-xylene 31.06
    formic acid 280.11
    diethyl ether 205.41
    m-xylene 39.76
    p-xylene 26.17
    chlorobenzene 43.89
    dimethyl carbonate 79.05
    n-octane 2.58
    formamide 370.48
    cyclopentanone 233.52
    2-pentanone 156.49
    anisole 98.37
    cyclopentyl methyl ether 188.89
    gamma-butyrolactone 286.05
    1-methoxy-2-propanol 407.41
    pyridine 116.32
    3-pentanone 94.87
    furfural 201.57
    n-dodecane 2.84
    diethylene glycol 304.29
    diisopropyl ether 37.34
    tert-amyl alcohol 251.01
    acetylacetone 145.6
    n-hexadecane 3.11
    acetophenone 70.23
    methyl propionate 154.98
    isopentyl acetate 62.45
    trichloroethylene 183.15
    n-nonanol 46.38
    cyclohexanol 137.36
    benzyl alcohol 87.96
    2-ethylhexanol 57.09
    isooctanol 38.83
    dipropyl ether 59.43
    1,2-dichlorobenzene 42.55
    ethyl lactate 56.32
    propylene carbonate 112.66
    n-methylformamide 355.59
    2-pentanol 143.59
    n-pentane 5.46
    1-propoxy-2-propanol 143.64
    1-methoxy-2-propyl acetate 97.81
    2-(2-methoxypropoxy) propanol 107.61
    mesitylene 23.93
    ε-caprolactone 149.38
    p-cymene 20.04
    epichlorohydrin 372.69
    1,1,1-trichloroethane 75.03
    2-aminoethanol 336.9
    morpholine-4-carbaldehyde 362.18
    sulfolane 261.56
    2,2,4-trimethylpentane 4.99
    2-methyltetrahydrofuran 298.01
    n-hexyl acetate 62.2
    isooctane 4.51
    2-(2-butoxyethoxy)ethanol 143.53
    sec-butyl acetate 47.28
    tert-butyl acetate 104.18
    decalin 5.83
    glycerin 240.02
    diglyme 258.62
    acrylic acid 129.52
    isopropyl myristate 29.97
    n-butyric acid 166.96
    acetyl acetate 70.82
    di(2-ethylhexyl) phthalate 34.36
    ethyl propionate 71.72
    nitromethane 360.67
    1,2-diethoxyethane 116.86
    benzonitrile 65.04
    trioctyl phosphate 26.94
    1-bromopropane 65.66
    gamma-valerolactone 334.96
    n-decanol 35.89
    triethyl phosphate 37.61
    4-methyl-2-pentanol 74.58
    propionitrile 150.16
    vinylene carbonate 106.55
    1,1,2-trichlorotrifluoroethane 173.2
    DMS 61.27
    cumene 20.38
    2-octanol 33.0
    2-hexanone 87.15
    octyl acetate 38.49
    limonene 27.54
    1,2-dimethoxyethane 413.6
    ethyl orthosilicate 38.06
    tributyl phosphate 32.71
    diacetone alcohol 175.54
    N,N-dimethylaniline 63.7
    acrylonitrile 157.55
    aniline 91.43
    1,3-propanediol 378.46
    bromobenzene 32.86
    dibromomethane 90.45
    1,1,2,2-tetrachloroethane 136.9
    2-methyl-cyclohexyl acetate 51.95
    tetrabutyl urea 46.99
    diisobutyl methanol 35.59
    2-phenylethanol 79.75
    styrene 24.24
    dioctyl adipate 44.36
    dimethyl sulfate 116.9
    ethyl butyrate 53.68
    methyl lactate 90.7
    butyl lactate 43.46
    diethyl carbonate 42.63
    propanediol butyl ether 96.44
    triethyl orthoformate 45.55
    p-tert-butyltoluene 20.35
    methyl 4-tert-butylbenzoate 72.21
    morpholine 691.47
    tert-butylamine 220.63
    n-dodecanol 28.21
    dimethoxymethane 457.07
    ethylene carbonate 96.53
    cyrene 113.21
    2-ethoxyethyl acetate 70.35
    2-ethylhexyl acetate 46.57
    1,2,4-trichlorobenzene 53.0
    4-methylpyridine 126.56
    dibutyl ether 45.18
    2,6-dimethyl-4-heptanol 35.59
    DEF 156.16
    dimethyl isosorbide 161.75
    tetrachloroethylene 79.51
    eugenol 77.76
    triacetin 66.13
    span 80 74.88
    1,4-butanediol 165.21
    1,1-dichloroethane 105.44
    2-methyl-1-pentanol 121.26
    methyl formate 253.26
    2-methyl-1-butanol 154.66
    n-decane 4.5
    butyronitrile 144.03
    3,7-dimethyl-1-octanol 51.18
    1-chlorooctane 22.96
    1-chlorotetradecane 9.8
    n-nonane 4.08
    undecane 3.5
    tert-butylcyclohexane 6.39
    cyclooctane 2.36
    cyclopentanol 170.58
    tetrahydropyran 316.84
    tert-amyl methyl ether 113.7
    2,5,8-trioxanonane 180.3
    1-hexene 29.53
    2-isopropoxyethanol 193.73
    2,2,2-trifluoroethanol 101.71
    methyl butyrate 93.05

    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