Benzeneacetic acid, 4-hydroxy-, methyl ester

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  • Identifiers

    CAS number
    14199-15-6

    Molecular formula
    C9H10O3

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 62.52%
    Animal 47.75%
    Fruity 47.4%
    Floral 45.69%
    Sweet 39.51%
    Honey 39.35%
    Medicinal 33.4%
    Aromatic 33.11%
    Vanilla 31.47%
    Spicy 30.36%

     

    Flavor
    Sweet 81.43%
    Floral 67.51%
    Fruity 48.15%
    Powdery 39.97%
    Honey 39.85%
    Balsam 39.75%
    Flower 33.71%
    Spicy 31.32%
    Mild 31.07%
    Wintergreen 29.95%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.5

    pKa est.
    8.96 (weak base)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    296°C

    Flash point

    • 135.91 ˚C est.

  • Synonyms

    • Methyl 4-hydroxyphenylacetate
    • Benzeneacetic acid, 4-hydroxy-, methyl ester
    • Methyl (4-hydroxyphenyl)acetate
    • EINECS 238-050-2
    • AI3-36062
    • DTXSID0065725
    • RefChem:562869
    • DTXCID4034605
    • 238-050-2
    • 14199-15-6
    • methyl 2-(4-hydroxyphenyl)acetate
    • 4-Hydroxyphenylacetic acid methyl ester
    • MFCD00002387
    • 4-Hydroxyphenylacetic acid methl ester
    • p-Hydroxyphenylacetic acid methyl ester
    • 4-hydroxybenzeneacetic acid methyl ester
    • Acetic acid, (p-hydroxyphenyl)-, methyl ester
    • methyl2-(4-hydroxyphenyl)acetate
    • (4-hydroxyphenyl)acetic acid methyl ester
    • 2-(4-hydroxyphenyl)acetic acid methyl ester
    • methyl p-hydroxyphenylacetate
    • Methy 4-Hydroxyphenylacetate
    • WN72UVQ99P
    • Methyl-4-hydroxyphenylacetate
    • methyl 4-hydroxybenzeneacetate
    • methyl-(4-OH) phenylacetate
    • SCHEMBL112488
    • methyl 4-hydroxyphenylethanoate
    • methyl(4-hydroxyphenyl)acetate
    • Methyl (p-hydroxyphenyl)acetate
    • orb1684735
    • SCHEMBL5546570
    • SCHEMBL5749467
    • CHEBI:68078
    • methyl (4-hydroxyphenyl)ethanoate
    • Methyl-2-(4-hydroxyphenyl)acetate
    • STR01403
    • STK400488
    • AKOS003267785
    • CS-W001084
    • EBC-618093
    • FM38911
    • HY-W001084
    • 4-hydroxyphenylacetic acid, methyl ester
    • 4-hydroxy phenyl acetic acid methyl ester
    • AC-14361
    • ST089227
    • SY001844
    • DB-032221
    • (4-Hydroxy-phenyl)-acetic acid methyl ester
    • H0856
    • NS00015145
    • EN300-20984
    • F037384
    • Methyl 4-hydroxyphenylacetate, ReagentPlus(R), 99%
    • Q27136571
    • Methyl 4-hydroxyphenylacetate, Vetec(TM) reagent grade, 98%
    • 14199-15-6

  • Applications

    Benzeneacetic acid, 4-hydroxy-, methyl ester (CAS 14199-15-6) is used primarily as a fragrance ingredient and odorant in perfumery, with additional applications in cosmetic formulations as a scent component. It also serves as a synthetic intermediate in organic synthesis, including pharmaceutical and fine-chemical routes, enabling access to p-hydroxyphenylacetate derivatives. In industrial manufacturing it is employed as a building block for aroma-related esters and related specialty esters used in coatings, inks, and cleaning formulations. Its use is typically subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 356.19
    methanol 417.33
    isopropanol 302.62
    water 4.57
    ethyl acetate 106.43
    n-propanol 224.21
    acetone 283.37
    n-butanol 155.94
    acetonitrile 166.29
    DMF 710.46
    toluene 24.35
    isobutanol 125.06
    1,4-dioxane 369.16
    methyl acetate 208.78
    THF 369.37
    2-butanone 219.39
    n-pentanol 97.07
    sec-butanol 193.24
    n-hexane 0.98
    ethylene glycol 181.91
    NMP 165.35
    cyclohexane 1.16
    DMSO 695.26
    n-butyl acetate 33.58
    n-octanol 32.73
    chloroform 97.87
    n-propyl acetate 49.67
    acetic acid 153.66
    dichloromethane 86.46
    cyclohexanone 114.91
    propylene glycol 261.32
    isopropyl acetate 39.29
    DMAc 572.73
    2-ethoxyethanol 314.66
    isopentanol 106.38
    n-heptane 1.04
    ethyl formate 117.09
    1,2-dichloroethane 68.63
    n-hexanol 67.7
    2-methoxyethanol 596.24
    isobutyl acetate 23.59
    tetrachloromethane 11.1
    n-pentyl acetate 20.43
    transcutol 296.25
    n-heptanol 30.88
    ethylbenzene 18.13
    MIBK 52.11
    2-propoxyethanol 175.35
    tert-butanol 387.7
    MTBE 92.03
    2-butoxyethanol 82.49
    propionic acid 149.67
    o-xylene 22.55
    formic acid 185.22
    diethyl ether 56.76
    m-xylene 18.04
    p-xylene 22.78
    chlorobenzene 25.56
    dimethyl carbonate 65.82
    n-octane 0.82
    formamide 349.92
    cyclopentanone 177.33
    2-pentanone 105.41
    anisole 105.01
    cyclopentyl methyl ether 66.81
    gamma-butyrolactone 191.32
    1-methoxy-2-propanol 326.34
    pyridine 121.0
    3-pentanone 61.44
    furfural 188.37
    n-dodecane 1.15
    diethylene glycol 219.85
    diisopropyl ether 9.2
    tert-amyl alcohol 219.74
    acetylacetone 103.69
    n-hexadecane 1.29
    acetophenone 74.33
    methyl propionate 119.53
    isopentyl acetate 32.05
    trichloroethylene 133.93
    n-nonanol 28.77
    cyclohexanol 79.26
    benzyl alcohol 96.35
    2-ethylhexanol 29.54
    isooctanol 24.03
    dipropyl ether 18.29
    1,2-dichlorobenzene 25.59
    ethyl lactate 52.47
    propylene carbonate 76.49
    n-methylformamide 379.57
    2-pentanol 76.38
    n-pentane 0.71
    1-propoxy-2-propanol 88.8
    1-methoxy-2-propyl acetate 58.82
    2-(2-methoxypropoxy) propanol 87.08
    mesitylene 9.07
    ε-caprolactone 96.38
    p-cymene 9.93
    epichlorohydrin 263.59
    1,1,1-trichloroethane 48.93
    2-aminoethanol 292.27
    morpholine-4-carbaldehyde 283.47
    sulfolane 216.49
    2,2,4-trimethylpentane 1.52
    2-methyltetrahydrofuran 150.04
    n-hexyl acetate 36.65
    isooctane 1.01
    2-(2-butoxyethoxy)ethanol 115.76
    sec-butyl acetate 28.57
    tert-butyl acetate 51.88
    decalin 2.02
    glycerin 320.06
    diglyme 200.46
    acrylic acid 122.27
    isopropyl myristate 14.63
    n-butyric acid 121.53
    acetyl acetate 42.4
    di(2-ethylhexyl) phthalate 21.13
    ethyl propionate 51.03
    nitromethane 353.67
    1,2-diethoxyethane 52.37
    benzonitrile 59.84
    trioctyl phosphate 14.55
    1-bromopropane 26.39
    gamma-valerolactone 249.6
    n-decanol 21.69
    triethyl phosphate 22.85
    4-methyl-2-pentanol 36.83
    propionitrile 111.08
    vinylene carbonate 78.67
    1,1,2-trichlorotrifluoroethane 205.43
    DMS 39.74
    cumene 13.19
    2-octanol 19.69
    2-hexanone 61.13
    octyl acetate 22.06
    limonene 12.8
    1,2-dimethoxyethane 373.88
    ethyl orthosilicate 20.0
    tributyl phosphate 17.18
    diacetone alcohol 140.72
    N,N-dimethylaniline 56.41
    acrylonitrile 155.26
    aniline 87.36
    1,3-propanediol 343.24
    bromobenzene 18.48
    dibromomethane 42.62
    1,1,2,2-tetrachloroethane 112.46
    2-methyl-cyclohexyl acetate 29.99
    tetrabutyl urea 27.21
    diisobutyl methanol 16.44
    2-phenylethanol 61.95
    styrene 22.15
    dioctyl adipate 25.75
    dimethyl sulfate 123.12
    ethyl butyrate 30.05
    methyl lactate 103.71
    butyl lactate 33.24
    diethyl carbonate 25.77
    propanediol butyl ether 93.32
    triethyl orthoformate 22.55
    p-tert-butyltoluene 9.98
    methyl 4-tert-butylbenzoate 50.73
    morpholine 441.92
    tert-butylamine 111.08
    n-dodecanol 16.0
    dimethoxymethane 271.38
    ethylene carbonate 59.38
    cyrene 87.33
    2-ethoxyethyl acetate 40.03
    2-ethylhexyl acetate 21.39
    1,2,4-trichlorobenzene 36.7
    4-methylpyridine 128.23
    dibutyl ether 19.59
    2,6-dimethyl-4-heptanol 16.44
    DEF 134.85
    dimethyl isosorbide 103.25
    tetrachloroethylene 64.29
    eugenol 64.11
    triacetin 46.97
    span 80 60.62
    1,4-butanediol 126.32
    1,1-dichloroethane 62.41
    2-methyl-1-pentanol 73.69
    methyl formate 240.47
    2-methyl-1-butanol 104.89
    n-decane 1.74
    butyronitrile 88.41
    3,7-dimethyl-1-octanol 30.17
    1-chlorooctane 10.45
    1-chlorotetradecane 4.4
    n-nonane 1.46
    undecane 1.38
    tert-butylcyclohexane 2.33
    cyclooctane 0.53
    cyclopentanol 101.74
    tetrahydropyran 143.87
    tert-amyl methyl ether 64.1
    2,5,8-trioxanonane 144.36
    1-hexene 9.28
    2-isopropoxyethanol 153.12
    2,2,2-trifluoroethanol 83.66
    methyl butyrate 75.64

    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