4-Methoxybenzoyloxyacetic acid

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  • Identifiers

    CAS number
    10414-68-3

    Molecular formula
    C10H10O5

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

  • Odor profile

    Fragrance
    Odorless 42.98%
    Caramellic 34.57%
    Burnt 33.12%
    Roasted 32.21%
    Phenolic 32.2%
    Sweet 30.15%
    Vanilla 29.7%
    Nutty 29.3%
    Creamy 29.2%
    Sour 28.84%

     

    Flavor
    Sweet 42.26%
    Odorless 37.83%
    Fruity 33.79%
    Faint 31.48%
    Creamy 28.86%
    Balsam 28.27%
    Mild 27.7%
    Sour 26.95%
    Very mild 26.21%
    Powdery 25.98%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    4.94 (weak acid)

    Molecular weight
    210.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    403°C

    Flash point

    • 180.81 ˚C est.

    Solubility expt.

    • Slightly soluble in water; insoluble in n-octane
    • Soluble (in ethanol)

  • Synonyms

    • 10414-68-3
    • ((4-Methoxybenzoyl)oxy)acetic acid
    • 4-Mboaa
    • 4-Methoxybenzoyloxyacetic acid
    • [(4-methoxybenzoyl)oxy]acetic acid
    • Benzoic acid, 4-methoxy-, carboxymethyl ester
    • A6VXV872O8
    • NSC-226840
    • FEMA NO. 4016
    • GLYCOLIC ACID, P-ANISATE
    • DTXSID80146314
    • NSC 226840
    • (4-METHOXYBENZOYLOXY)ACETIC ACID
    • P-ANISIC ACID, ESTER WITH GLYCOLIC ACID
    • 2-(4-methoxybenzoyl)oxyacetic acid
    • UNII-A6VXV872O8
    • NSC226840
    • Carboxymethyl 4-methoxybenzoate
    • 4-methoxybenzoyl oxyacetic acid
    • SCHEMBL3505808
    • DTXCID1068805
    • MZSAEUPZUUESSL-UHFFFAOYSA-N
    • acetic acid, 2-(p-methoxybenzoyl)oxy-
    • NS00023281
    • Q27273697
    • 600-527-1

  • Applications

    4-Methoxybenzoyloxyacetic acid is primarily used as an organic synthesis intermediate, enabling the preparation of aryl glycolate esters. It is commonly evaluated as a precursor for fragrance compounds and serves as a building block in the manufacture of pharmaceutical and agrochemical intermediates. Additionally, it may be used in cosmetics and personal care as a fragrance-related intermediate, and in coatings and polymer formulations as a functionalized ester for derivatization, subject to formulation limits and local regulations.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.9
    methanol 24.02
    isopropanol 8.87
    water 0.7
    ethyl acetate 7.96
    n-propanol 8.75
    acetone 21.87
    n-butanol 6.12
    acetonitrile 5.25
    DMF 251.37
    toluene 0.49
    isobutanol 4.94
    1,4-dioxane 14.08
    methyl acetate 12.82
    THF 44.04
    2-butanone 14.76
    n-pentanol 5.03
    sec-butanol 9.48
    n-hexane 0.08
    ethylene glycol 13.54
    NMP 191.52
    cyclohexane 0.09
    DMSO 464.44
    n-butyl acetate 5.43
    n-octanol 2.12
    chloroform 2.39
    n-propyl acetate 6.17
    acetic acid 26.67
    dichloromethane 5.6
    cyclohexanone 12.34
    propylene glycol 11.63
    isopropyl acetate 5.69
    DMAc 266.18
    2-ethoxyethanol 53.84
    isopentanol 7.02
    n-heptane 0.13
    ethyl formate 7.37
    1,2-dichloroethane 5.9
    n-hexanol 3.48
    2-methoxyethanol 88.04
    isobutyl acetate 1.82
    tetrachloromethane 0.45
    n-pentyl acetate 2.85
    transcutol 153.92
    n-heptanol 2.17
    ethylbenzene 0.83
    MIBK 6.84
    2-propoxyethanol 28.74
    tert-butanol 19.82
    MTBE 10.44
    2-butoxyethanol 11.95
    propionic acid 12.17
    o-xylene 1.33
    formic acid 57.95
    diethyl ether 5.22
    m-xylene 0.68
    p-xylene 1.05
    chlorobenzene 1.05
    dimethyl carbonate 14.73
    n-octane 0.06
    formamide 166.68
    cyclopentanone 29.59
    2-pentanone 9.17
    anisole 11.56
    cyclopentyl methyl ether 10.07
    gamma-butyrolactone 43.84
    1-methoxy-2-propanol 56.3
    pyridine 9.33
    3-pentanone 7.01
    furfural 51.13
    n-dodecane 0.06
    diethylene glycol 40.88
    diisopropyl ether 1.63
    tert-amyl alcohol 24.09
    acetylacetone 20.44
    n-hexadecane 0.06
    acetophenone 15.24
    methyl propionate 13.01
    isopentyl acetate 5.8
    trichloroethylene 10.88
    n-nonanol 2.09
    cyclohexanol 3.78
    benzyl alcohol 9.73
    2-ethylhexanol 2.56
    isooctanol 2.11
    dipropyl ether 3.78
    1,2-dichlorobenzene 2.26
    ethyl lactate 11.99
    propylene carbonate 15.42
    n-methylformamide 61.89
    2-pentanol 4.48
    n-pentane 0.08
    1-propoxy-2-propanol 18.4
    1-methoxy-2-propyl acetate 17.72
    2-(2-methoxypropoxy) propanol 33.96
    mesitylene 0.7
    ε-caprolactone 16.63
    p-cymene 1.24
    epichlorohydrin 45.89
    1,1,1-trichloroethane 1.72
    2-aminoethanol 23.21
    morpholine-4-carbaldehyde 120.88
    sulfolane 122.29
    2,2,4-trimethylpentane 0.2
    2-methyltetrahydrofuran 20.16
    n-hexyl acetate 4.85
    isooctane 0.09
    2-(2-butoxyethoxy)ethanol 33.07
    sec-butyl acetate 3.79
    tert-butyl acetate 11.85
    decalin 0.16
    glycerin 37.79
    diglyme 82.1
    acrylic acid 18.43
    isopropyl myristate 2.16
    n-butyric acid 8.46
    acetyl acetate 5.71
    di(2-ethylhexyl) phthalate 4.62
    ethyl propionate 7.46
    nitromethane 86.78
    1,2-diethoxyethane 14.49
    benzonitrile 4.34
    trioctyl phosphate 2.54
    1-bromopropane 1.41
    gamma-valerolactone 53.34
    n-decanol 1.49
    triethyl phosphate 8.16
    4-methyl-2-pentanol 3.21
    propionitrile 3.66
    vinylene carbonate 11.96
    1,1,2-trichlorotrifluoroethane 53.25
    DMS 10.51
    cumene 0.95
    2-octanol 1.36
    2-hexanone 6.54
    octyl acetate 2.96
    limonene 1.79
    1,2-dimethoxyethane 68.44
    ethyl orthosilicate 6.76
    tributyl phosphate 3.87
    diacetone alcohol 32.79
    N,N-dimethylaniline 11.6
    acrylonitrile 8.45
    aniline 3.95
    1,3-propanediol 22.98
    bromobenzene 0.78
    dibromomethane 2.22
    1,1,2,2-tetrachloroethane 8.81
    2-methyl-cyclohexyl acetate 7.25
    tetrabutyl urea 7.21
    diisobutyl methanol 2.21
    2-phenylethanol 6.74
    styrene 1.07
    dioctyl adipate 6.43
    dimethyl sulfate 60.25
    ethyl butyrate 7.34
    methyl lactate 22.86
    butyl lactate 7.07
    diethyl carbonate 6.74
    propanediol butyl ether 16.07
    triethyl orthoformate 7.93
    p-tert-butyltoluene 1.27
    methyl 4-tert-butylbenzoate 15.5
    morpholine 29.82
    tert-butylamine 6.02
    n-dodecanol 1.04
    dimethoxymethane 63.01
    ethylene carbonate 7.29
    cyrene 42.39
    2-ethoxyethyl acetate 9.11
    2-ethylhexyl acetate 3.93
    1,2,4-trichlorobenzene 4.06
    4-methylpyridine 7.86
    dibutyl ether 2.71
    2,6-dimethyl-4-heptanol 2.21
    DEF 35.49
    dimethyl isosorbide 53.69
    tetrachloroethylene 5.26
    eugenol 16.5
    triacetin 14.79
    span 80 13.88
    1,4-butanediol 10.7
    1,1-dichloroethane 1.73
    2-methyl-1-pentanol 6.14
    methyl formate 33.76
    2-methyl-1-butanol 7.15
    n-decane 0.1
    butyronitrile 2.5
    3,7-dimethyl-1-octanol 3.03
    1-chlorooctane 0.63
    1-chlorotetradecane 0.25
    n-nonane 0.08
    undecane 0.07
    tert-butylcyclohexane 0.18
    cyclooctane 0.05
    cyclopentanol 6.46
    tetrahydropyran 5.01
    tert-amyl methyl ether 12.46
    2,5,8-trioxanonane 61.9
    1-hexene 0.45
    2-isopropoxyethanol 26.36
    2,2,2-trifluoroethanol 17.32
    methyl butyrate 11.14

    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