Sodium (4-methoxybenzoyloxy)acetate

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  • Identifiers

    CAS number
    17114-82-8

    Molecular formula
    C10H9NaO5

    SMILES
    COC1=CC=C(C=C1)C(=O)OCC(=O)[O-].[Na+]

  • Odor profile

    Fragrance
    Sweet 41.04%
    Odorless 40.75%
    Caramellic 34.97%
    Vanilla 32.51%
    Creamy 30.31%
    Balsamic 28.99%
    Burnt 28.21%
    Nutty 27.64%
    Milky 26.29%
    Roasted 26.29%

     

    Flavor
    Fruity 36.38%
    Odorless 36.05%
    Sweet 33.62%
    Faint 30.14%
    Grape 27.37%
    Very mild 26.84%
    Powdery 26.15%
    Mild 25.71%
    Creamy 25.6%
    Strawberry 24.38%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    2.67 (strong acid)

    Molecular weight
    232.16 g/mol

    Flash point

    • 163.6 ˚C est.

    Solubility expt.

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

  • Synonyms

    • Sodium (4-methoxybenzoyloxy)acetate
    • 17114-82-8
    • SODIUM4-METHOXYBENZOYLOXYACETATE
    • 756E2ZYB5B
    • UNII-756E2ZYB5B
    • Glycolic acid, p-anisate, sodium salt
    • p-Anisic acid, ester with glycolic acid, sodium salt
    • FEMA NO. 4016B
    • Benzoic acid, 4-methoxy-, carboxymethyl ester, sodium salt
    • sodium;2-(4-methoxybenzoyl)oxyacetate
    • SODIUM (4-METHOXYBENZOYLOXY)ACETATE [FHFI]
    • BENZOIC ACID, 4-METHOXY-, CARBOXYMETHYL ESTER, SODIUM SALT (1:1)
    • SCHEMBL18339317
    • SODIUM 4-METHOXYBENZOYLOXYACETATE
    • G83785
    • Q27266346

  • Applications

    Primarily, Sodium (4-methoxybenzoyloxy)acetate (CAS 17114-82-8) is used as an organic synthesis intermediate, serving as a building block to introduce the anisoyl (4-methoxybenzoyl) ester functionality in downstream transformations. The sodium salt form can improve handling and water compatibility for aqueous or semi-aqueous reaction conditions. It is commonly evaluated as a precursor for anisoyl ester derivatives in fragrance and flavor chemistry, and as a masked carboxylate or protecting-group reagent in multi-step pharmaceutical or agrochemical syntheses. Depending on process needs and regulatory constraints, it may also find use as a specialty intermediate in coatings, polymers, or other applications requiring an aromatic ester moiety.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 9.37
    methanol 12.63
    isopropanol 4.77
    water 0.2
    ethyl acetate 12.25
    n-propanol 5.1
    acetone 32.3
    n-butanol 3.6
    acetonitrile 9.75
    DMF 208.68
    toluene 1.1
    isobutanol 2.95
    1,4-dioxane 20.05
    methyl acetate 19.98
    THF 51.33
    2-butanone 20.15
    n-pentanol 3.41
    sec-butanol 5.47
    n-hexane 0.11
    ethylene glycol 7.44
    NMP 235.14
    cyclohexane 0.11
    DMSO 428.54
    n-butyl acetate 8.26
    n-octanol 1.48
    chloroform 6.52
    n-propyl acetate 9.28
    acetic acid 22.26
    dichloromethane 16.88
    cyclohexanone 16.32
    propylene glycol 5.79
    isopropyl acetate 7.99
    DMAc 224.13
    2-ethoxyethanol 40.19
    isopentanol 3.79
    n-heptane 0.13
    ethyl formate 9.02
    1,2-dichloroethane 15.41
    n-hexanol 2.68
    2-methoxyethanol 59.74
    isobutyl acetate 2.61
    tetrachloromethane 0.84
    n-pentyl acetate 3.34
    transcutol 164.79
    n-heptanol 1.45
    ethylbenzene 1.51
    MIBK 7.03
    2-propoxyethanol 24.46
    tert-butanol 9.63
    MTBE 10.16
    2-butoxyethanol 9.81
    propionic acid 10.97
    o-xylene 2.27
    formic acid 35.31
    diethyl ether 7.24
    m-xylene 1.1
    p-xylene 1.78
    chlorobenzene 2.74
    dimethyl carbonate 19.35
    n-octane 0.05
    formamide 119.84
    cyclopentanone 42.58
    2-pentanone 11.52
    anisole 19.91
    cyclopentyl methyl ether 12.85
    gamma-butyrolactone 60.26
    1-methoxy-2-propanol 37.7
    pyridine 17.2
    3-pentanone 10.7
    furfural 72.1
    n-dodecane 0.05
    diethylene glycol 31.85
    diisopropyl ether 1.87
    tert-amyl alcohol 12.33
    acetylacetone 31.08
    n-hexadecane 0.05
    acetophenone 25.23
    methyl propionate 17.94
    isopentyl acetate 7.45
    trichloroethylene 29.62
    n-nonanol 1.5
    cyclohexanol 2.74
    benzyl alcohol 11.61
    2-ethylhexanol 2.15
    isooctanol 1.41
    dipropyl ether 4.54
    1,2-dichlorobenzene 5.48
    ethyl lactate 11.93
    propylene carbonate 20.56
    n-methylformamide 57.15
    2-pentanol 2.79
    n-pentane 0.09
    1-propoxy-2-propanol 15.68
    1-methoxy-2-propyl acetate 23.64
    2-(2-methoxypropoxy) propanol 33.73
    mesitylene 0.91
    ε-caprolactone 20.85
    p-cymene 1.68
    epichlorohydrin 73.6
    1,1,1-trichloroethane 4.48
    2-aminoethanol 11.23
    morpholine-4-carbaldehyde 146.07
    sulfolane 160.07
    2,2,4-trimethylpentane 0.19
    2-methyltetrahydrofuran 25.6
    n-hexyl acetate 5.48
    isooctane 0.08
    2-(2-butoxyethoxy)ethanol 29.62
    sec-butyl acetate 5.67
    tert-butyl acetate 14.87
    decalin 0.21
    glycerin 19.21
    diglyme 91.18
    acrylic acid 17.88
    isopropyl myristate 2.35
    n-butyric acid 7.32
    acetyl acetate 9.4
    di(2-ethylhexyl) phthalate 4.38
    ethyl propionate 11.04
    nitromethane 111.39
    1,2-diethoxyethane 18.43
    benzonitrile 7.1
    trioctyl phosphate 2.12
    1-bromopropane 3.09
    gamma-valerolactone 70.11
    n-decanol 1.06
    triethyl phosphate 10.34
    4-methyl-2-pentanol 1.87
    propionitrile 5.35
    vinylene carbonate 16.26
    1,1,2-trichlorotrifluoroethane 66.47
    DMS 15.75
    cumene 1.43
    2-octanol 0.92
    2-hexanone 9.26
    octyl acetate 3.1
    limonene 2.31
    1,2-dimethoxyethane 68.95
    ethyl orthosilicate 8.25
    tributyl phosphate 3.79
    diacetone alcohol 28.39
    N,N-dimethylaniline 17.19
    acrylonitrile 12.85
    aniline 5.88
    1,3-propanediol 11.52
    bromobenzene 2.09
    dibromomethane 6.26
    1,1,2,2-tetrachloroethane 21.45
    2-methyl-cyclohexyl acetate 9.36
    tetrabutyl urea 6.8
    diisobutyl methanol 1.69
    2-phenylethanol 8.54
    styrene 2.23
    dioctyl adipate 7.2
    dimethyl sulfate 79.72
    ethyl butyrate 10.28
    methyl lactate 21.37
    butyl lactate 6.51
    diethyl carbonate 9.54
    propanediol butyl ether 11.43
    triethyl orthoformate 10.11
    p-tert-butyltoluene 1.64
    methyl 4-tert-butylbenzoate 17.08
    morpholine 33.66
    tert-butylamine 3.54
    n-dodecanol 0.74
    dimethoxymethane 62.09
    ethylene carbonate 9.34
    cyrene 45.16
    2-ethoxyethyl acetate 12.15
    2-ethylhexyl acetate 5.53
    1,2,4-trichlorobenzene 9.84
    4-methylpyridine 14.33
    dibutyl ether 2.94
    2,6-dimethyl-4-heptanol 1.69
    DEF 38.69
    dimethyl isosorbide 69.34
    tetrachloroethylene 12.0
    eugenol 17.81
    triacetin 18.67
    span 80 12.15
    1,4-butanediol 5.91
    1,1-dichloroethane 4.9
    2-methyl-1-pentanol 4.14
    methyl formate 36.81
    2-methyl-1-butanol 4.1
    n-decane 0.08
    butyronitrile 3.28
    3,7-dimethyl-1-octanol 2.19
    1-chlorooctane 0.71
    1-chlorotetradecane 0.26
    n-nonane 0.07
    undecane 0.06
    tert-butylcyclohexane 0.2
    cyclooctane 0.06
    cyclopentanol 4.96
    tetrahydropyran 7.29
    tert-amyl methyl ether 11.56
    2,5,8-trioxanonane 66.63
    1-hexene 0.67
    2-isopropoxyethanol 21.27
    2,2,2-trifluoroethanol 16.18
    methyl butyrate 14.9

    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