Benzeneacetic acid, 2,4-dihydroxy-, ethyl ester

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  • Identifiers

    CAS number
    67828-62-0

    Molecular formula
    C10H12O4

    SMILES
    CCOC(=O)CC1=C(C=C(C=C1)O)O

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 57.72%
    Vanilla 42.17%
    Odorless 39.5%
    Sweet 36.07%
    Spicy 31.97%
    Balsamic 29.5%
    Fruity 28.99%
    Burnt 28.86%
    Smoky 28.31%
    Creamy 28.16%

     

    Flavor
    Sweet 43.79%
    Bitter 42.53%
    Mild 36.26%
    Floral 34.25%
    Odorless 31.95%
    Fruity 31.46%
    Powdery 29.08%
    Wintergreen 25.91%
    Phenolic 23.65%
    Creamy 22.97%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    9.45 (weak base)

    Molecular weight
    196.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    337°C

    Flash point

    • 168.89 ˚C est.

  • Synonyms

    • Ethyl 2,4-dihydroxyphenylacetate
    • 67828-62-0
    • ethyl 2-(2,4-dihydroxyphenyl)acetate
    • Benzeneacetic acid, 2,4-dihydroxy-, ethyl ester
    • 877NUJ7ZJB
    • EINECS 267-281-1
    • DTXSID3070678
    • RefChem:562827
    • DTXCID7045102
    • 267-281-1
    • MFCD19441060
    • Ethyl2-(2,4-dihydroxyphenyl)acetate
    • UNII-877NUJ7ZJB
    • Ethyl2,4-dihydroxyphenylacetate
    • orb1685060
    • SCHEMBL8763431
    • GADHUKQASVRNQF-UHFFFAOYSA-N
    • Ethyl (2,4-dihydroxyphenyl)acetate
    • AKOS016006314
    • FS-8953
    • DB-342890
    • CS-0024371
    • NS00036212
    • B0005-190072
    • 67828-62-0

  • Applications

    Ethyl 2,4-dihydroxyphenylacetate (Benzeneacetic acid, 2,4-dihydroxy-, ethyl ester; CAS 67828-62-0) is primarily used as an intermediate in organic synthesis. In industry, it is employed as a building block for fragrance compounds in perfumery and cosmetics, as a precursor for specialty polymers and coatings resins; its dihydroxy functionality enables further derivatization for pharmaceutical research and fine chemicals; it may function as a phenolic antioxidant or stabilizer in plastics and adhesives formulations, helping to improve thermal or UV stability; and it is sometimes evaluated for dye chemistry or resin-forming processes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 173.34
    methanol 228.6
    isopropanol 152.89
    water 1.54
    ethyl acetate 46.27
    n-propanol 115.09
    acetone 159.08
    n-butanol 91.77
    acetonitrile 68.93
    DMF 555.97
    toluene 4.93
    isobutanol 62.26
    1,4-dioxane 197.36
    methyl acetate 79.58
    THF 424.01
    2-butanone 99.6
    n-pentanol 55.01
    sec-butanol 91.59
    n-hexane 0.42
    ethylene glycol 73.3
    NMP 156.59
    cyclohexane 0.59
    DMSO 907.12
    n-butyl acetate 25.42
    n-octanol 14.59
    chloroform 20.88
    n-propyl acetate 25.83
    acetic acid 104.18
    dichloromethane 20.73
    cyclohexanone 74.37
    propylene glycol 80.23
    isopropyl acetate 23.14
    DMAc 562.17
    2-ethoxyethanol 184.01
    isopentanol 70.58
    n-heptane 0.34
    ethyl formate 47.66
    1,2-dichloroethane 24.9
    n-hexanol 32.36
    2-methoxyethanol 376.78
    isobutyl acetate 13.22
    tetrachloromethane 2.97
    n-pentyl acetate 11.48
    transcutol 202.74
    n-heptanol 13.92
    ethylbenzene 5.44
    MIBK 35.52
    2-propoxyethanol 108.1
    tert-butanol 276.69
    MTBE 56.98
    2-butoxyethanol 42.77
    propionic acid 64.62
    o-xylene 7.1
    formic acid 99.59
    diethyl ether 38.04
    m-xylene 5.03
    p-xylene 7.54
    chlorobenzene 7.62
    dimethyl carbonate 36.92
    n-octane 0.25
    formamide 203.15
    cyclopentanone 114.19
    2-pentanone 58.2
    anisole 44.16
    cyclopentyl methyl ether 45.54
    gamma-butyrolactone 120.85
    1-methoxy-2-propanol 208.33
    pyridine 47.64
    3-pentanone 34.36
    furfural 106.26
    n-dodecane 0.48
    diethylene glycol 137.41
    diisopropyl ether 6.01
    tert-amyl alcohol 130.04
    acetylacetone 69.56
    n-hexadecane 0.54
    acetophenone 37.03
    methyl propionate 53.63
    isopentyl acetate 25.92
    trichloroethylene 40.97
    n-nonanol 14.23
    cyclohexanol 43.96
    benzyl alcohol 41.66
    2-ethylhexanol 15.63
    isooctanol 11.62
    dipropyl ether 11.75
    1,2-dichlorobenzene 10.58
    ethyl lactate 27.19
    propylene carbonate 47.82
    n-methylformamide 183.22
    2-pentanol 45.4
    n-pentane 0.27
    1-propoxy-2-propanol 57.18
    1-methoxy-2-propyl acetate 41.99
    2-(2-methoxypropoxy) propanol 65.16
    mesitylene 3.87
    ε-caprolactone 57.43
    p-cymene 4.9
    epichlorohydrin 141.53
    1,1,1-trichloroethane 15.65
    2-aminoethanol 123.26
    morpholine-4-carbaldehyde 196.5
    sulfolane 183.53
    2,2,4-trimethylpentane 0.74
    2-methyltetrahydrofuran 115.48
    n-hexyl acetate 21.46
    isooctane 0.48
    2-(2-butoxyethoxy)ethanol 75.07
    sec-butyl acetate 16.02
    tert-butyl acetate 40.16
    decalin 0.91
    glycerin 139.3
    diglyme 135.49
    acrylic acid 54.82
    isopropyl myristate 10.32
    n-butyric acid 64.41
    acetyl acetate 24.02
    di(2-ethylhexyl) phthalate 14.99
    ethyl propionate 27.29
    nitromethane 196.03
    1,2-diethoxyethane 38.56
    benzonitrile 27.63
    trioctyl phosphate 10.47
    1-bromopropane 9.95
    gamma-valerolactone 156.39
    n-decanol 10.82
    triethyl phosphate 19.22
    4-methyl-2-pentanol 22.71
    propionitrile 48.22
    vinylene carbonate 40.38
    1,1,2-trichlorotrifluoroethane 115.52
    DMS 26.39
    cumene 4.85
    2-octanol 9.03
    2-hexanone 34.75
    octyl acetate 13.77
    limonene 6.96
    1,2-dimethoxyethane 250.68
    ethyl orthosilicate 16.64
    tributyl phosphate 14.16
    diacetone alcohol 94.49
    N,N-dimethylaniline 30.67
    acrylonitrile 59.46
    aniline 29.03
    1,3-propanediol 187.38
    bromobenzene 5.26
    dibromomethane 12.26
    1,1,2,2-tetrachloroethane 41.39
    2-methyl-cyclohexyl acetate 22.1
    tetrabutyl urea 22.17
    diisobutyl methanol 10.66
    2-phenylethanol 29.72
    styrene 6.74
    dioctyl adipate 19.73
    dimethyl sulfate 87.45
    ethyl butyrate 21.05
    methyl lactate 53.53
    butyl lactate 19.34
    diethyl carbonate 19.03
    propanediol butyl ether 46.02
    triethyl orthoformate 19.45
    p-tert-butyltoluene 5.13
    methyl 4-tert-butylbenzoate 32.52
    morpholine 277.89
    tert-butylamine 68.91
    n-dodecanol 8.19
    dimethoxymethane 186.84
    ethylene carbonate 35.47
    cyrene 58.72
    2-ethoxyethyl acetate 25.01
    2-ethylhexyl acetate 17.23
    1,2,4-trichlorobenzene 15.74
    4-methylpyridine 52.97
    dibutyl ether 12.38
    2,6-dimethyl-4-heptanol 10.66
    DEF 80.28
    dimethyl isosorbide 83.17
    tetrachloroethylene 20.81
    eugenol 38.03
    triacetin 29.26
    span 80 36.3
    1,4-butanediol 55.32
    1,1-dichloroethane 16.44
    2-methyl-1-pentanol 43.95
    methyl formate 106.35
    2-methyl-1-butanol 57.44
    n-decane 0.72
    butyronitrile 42.26
    3,7-dimethyl-1-octanol 16.31
    1-chlorooctane 4.29
    1-chlorotetradecane 2.12
    n-nonane 0.54
    undecane 0.58
    tert-butylcyclohexane 0.97
    cyclooctane 0.23
    cyclopentanol 59.42
    tetrahydropyran 89.95
    tert-amyl methyl ether 41.71
    2,5,8-trioxanonane 112.64
    1-hexene 3.64
    2-isopropoxyethanol 85.01
    2,2,2-trifluoroethanol 43.63
    methyl butyrate 39.37

    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