Ethyl 3,4-Dihydroxybenzoate

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  • Identifiers

    CAS number
    3943-89-3

    Molecular formula
    C9H10O4

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 59.92%
    Vanilla 55.33%
    Odorless 48.24%
    Balsamic 42.27%
    Spicy 36.44%
    Burnt 34.2%
    Smoky 32.7%
    Sweet 32.46%
    Creamy 30.99%
    Powdery 29.21%

     

    Flavor
    Bitter 61.52%
    Sweet 51.26%
    Vanilla 39.46%
    Powdery 34.89%
    Mild 30.03%
    Wintergreen 28.64%
    Balsam 27.43%
    Faint 27.38%
    Creamy 27.16%
    Odorless 27.07%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    1.8

    pKa est.
    8.4 (weak base)

    Molecular weight
    182.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    353°C

    Flash point

    • 154.88 ˚C est.

  • Synonyms

    • Ethyl 3,4-dihydroxybenzoate
    • 3943-89-3
    • Ethyl protocatechuate
    • 3,4-Dihydroxybenzoic Acid Ethyl Ester
    • Protocatechuic acid ethyl ester
    • Benzoic acid, 3,4-dihydroxy-, ethyl ester
    • MFCD00002199
    • UNII-4YGJ96WTBG
    • 4YGJ96WTBG
    • DTXSID2057732
    • EINECS 223-529-0
    • NSC 86130
    • NSC-86130
    • CHEMBL486216
    • DTXCID3031521
    • CHEBI:132364
    • EC 223-529-0
    • Ethyl-3,4-dihydroxybenzoate
    • EDHB
    • 3,4-Dihydroxybenzoic Acid Ethyl Ester; Protocatechuic Acid Ethyl Ester; Ethyl Protocatechuate; NSC 619681; NSC 86130;
    • Ethyl 3
    • Ethyl protocatechuic acid
    • Protocatechuate ethyl ester
    • 3,4-DHBEEOP
    • SCHEMBL39791
    • Ethyl-3,4-dihydroxy-benzoate
    • ethyl 3,4-dihydroxybenzoic acid
    • Protocatechuic acid, ethyl ester
    • 3,4-Dihydroxybenzoate ethyl ester
    • Ethyl 3,4-dihydroxybenzoate (Protocatechuic acid ethyl ester)
    • BCP26356
    • NSC86130
    • Tox21_113836
    • BDBM50428394
    • NSC619681
    • AKOS015856218
    • Protocatechuic acid ethyl ester, 97%
    • AC-9614
    • CS-W017125
    • FD02005
    • FD16015
    • HY-W016409
    • NSC-619681
    • PS-4053
    • 3,4-Dihydroxy-benzoic acid ethyl ester
    • 3,4-Dihydroxybenzoic acid, ethyl ester
    • Benzoic acid,4-dihydroxy-, ethyl ester
    • NCGC00253717-01
    • SY017737
    • CAS-3943-89-3
    • DB-013234
    • D0571
    • NS00006102
    • SR-01000944711
    • Q3277971
    • SR-01000944711-1
    • F0001-1109
    • Ethyl 3,4-dihydroxybenzoate;Protocatechuic acid ethyl ester

  • Applications

    Ethyl 3,4-Dihydroxybenzoate (CAS 3943-89-3) is primarily used as an intermediate and functional additive in industrial formulations, including its role as a phenolic antioxidant and UV stabilizer precursor for polymers, coatings, and inks. It is often considered a building block in fragrance and cosmetic chemistry, contributing to the synthesis of fragrance compounds or scent-related formulations. In cosmetics and personal care, the compound may act as an antioxidant and may serve as a fragrance precursor in certain formulations. In coatings, paints, and printing inks, it can be used as an antioxidant additive to improve color stability and longevity. It may also serve as an intermediate in pharmaceutical synthesis in some routes, with its use subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 336.1
    methanol 470.29
    isopropanol 306.0
    water 2.05
    ethyl acetate 237.79
    n-propanol 261.41
    acetone 609.28
    n-butanol 170.71
    acetonitrile 180.91
    DMF 1635.33
    toluene 21.15
    isobutanol 141.43
    1,4-dioxane 344.64
    methyl acetate 388.66
    THF 614.49
    2-butanone 393.87
    n-pentanol 117.05
    sec-butanol 290.69
    n-hexane 1.75
    ethylene glycol 131.36
    NMP 540.94
    cyclohexane 2.2
    DMSO 1791.8
    n-butyl acetate 128.91
    n-octanol 42.91
    chloroform 39.3
    n-propyl acetate 134.11
    acetic acid 262.78
    dichloromethane 86.47
    cyclohexanone 216.79
    propylene glycol 106.6
    isopropyl acetate 113.74
    DMAc 978.64
    2-ethoxyethanol 410.24
    isopentanol 152.34
    n-heptane 2.41
    ethyl formate 134.67
    1,2-dichloroethane 123.41
    n-hexanol 84.78
    2-methoxyethanol 611.4
    isobutyl acetate 42.86
    tetrachloromethane 6.61
    n-pentyl acetate 65.09
    transcutol 578.09
    n-heptanol 42.84
    ethylbenzene 23.38
    MIBK 115.81
    2-propoxyethanol 207.38
    tert-butanol 557.18
    MTBE 315.33
    2-butoxyethanol 109.17
    propionic acid 185.67
    o-xylene 29.76
    formic acid 300.19
    diethyl ether 192.24
    m-xylene 22.33
    p-xylene 28.53
    chlorobenzene 29.77
    dimethyl carbonate 141.86
    n-octane 1.61
    formamide 962.48
    cyclopentanone 408.27
    2-pentanone 239.59
    anisole 133.14
    cyclopentyl methyl ether 167.57
    gamma-butyrolactone 477.53
    1-methoxy-2-propanol 378.07
    pyridine 157.67
    3-pentanone 154.63
    furfural 311.86
    n-dodecane 1.92
    diethylene glycol 219.59
    diisopropyl ether 37.29
    tert-amyl alcohol 467.76
    acetylacetone 274.36
    n-hexadecane 2.19
    acetophenone 124.93
    methyl propionate 258.61
    isopentyl acetate 100.18
    trichloroethylene 158.9
    n-nonanol 40.18
    cyclohexanol 92.54
    benzyl alcohol 108.08
    2-ethylhexanol 46.96
    isooctanol 35.96
    dipropyl ether 48.79
    1,2-dichlorobenzene 37.31
    ethyl lactate 75.31
    propylene carbonate 146.66
    n-methylformamide 638.59
    2-pentanol 140.89
    n-pentane 2.33
    1-propoxy-2-propanol 129.59
    1-methoxy-2-propyl acetate 133.48
    2-(2-methoxypropoxy) propanol 128.65
    mesitylene 16.66
    ε-caprolactone 191.67
    p-cymene 17.99
    epichlorohydrin 475.08
    1,1,1-trichloroethane 39.93
    2-aminoethanol 217.81
    morpholine-4-carbaldehyde 501.44
    sulfolane 591.71
    2,2,4-trimethylpentane 4.08
    2-methyltetrahydrofuran 345.39
    n-hexyl acetate 85.22
    isooctane 2.43
    2-(2-butoxyethoxy)ethanol 170.34
    sec-butyl acetate 76.42
    tert-butyl acetate 150.8
    decalin 3.21
    glycerin 187.08
    diglyme 341.56
    acrylic acid 171.56
    isopropyl myristate 33.2
    n-butyric acid 147.44
    acetyl acetate 96.78
    di(2-ethylhexyl) phthalate 34.58
    ethyl propionate 107.06
    nitromethane 824.02
    1,2-diethoxyethane 150.57
    benzonitrile 76.6
    trioctyl phosphate 27.08
    1-bromopropane 41.38
    gamma-valerolactone 418.93
    n-decanol 31.42
    triethyl phosphate 44.42
    4-methyl-2-pentanol 67.53
    propionitrile 117.91
    vinylene carbonate 121.75
    1,1,2-trichlorotrifluoroethane 238.92
    DMS 100.41
    cumene 17.85
    2-octanol 31.58
    2-hexanone 128.01
    octyl acetate 45.03
    limonene 27.39
    1,2-dimethoxyethane 450.87
    ethyl orthosilicate 39.45
    tributyl phosphate 33.71
    diacetone alcohol 246.62
    N,N-dimethylaniline 88.26
    acrylonitrile 194.78
    aniline 78.45
    1,3-propanediol 254.66
    bromobenzene 21.13
    dibromomethane 42.72
    1,1,2,2-tetrachloroethane 119.78
    2-methyl-cyclohexyl acetate 57.63
    tetrabutyl urea 50.62
    diisobutyl methanol 31.37
    2-phenylethanol 81.81
    styrene 30.62
    dioctyl adipate 54.03
    dimethyl sulfate 277.94
    ethyl butyrate 79.65
    methyl lactate 131.89
    butyl lactate 59.69
    diethyl carbonate 57.55
    propanediol butyl ether 104.98
    triethyl orthoformate 52.85
    p-tert-butyltoluene 19.27
    methyl 4-tert-butylbenzoate 93.1
    morpholine 466.0
    tert-butylamine 180.07
    n-dodecanol 23.74
    dimethoxymethane 537.68
    ethylene carbonate 97.92
    cyrene 127.61
    2-ethoxyethyl acetate 127.02
    2-ethylhexyl acetate 68.04
    1,2,4-trichlorobenzene 54.14
    4-methylpyridine 160.48
    dibutyl ether 46.53
    2,6-dimethyl-4-heptanol 31.37
    DEF 334.11
    dimethyl isosorbide 175.69
    tetrachloroethylene 75.6
    eugenol 93.48
    triacetin 106.02
    span 80 77.6
    1,4-butanediol 107.49
    1,1-dichloroethane 57.73
    2-methyl-1-pentanol 103.72
    methyl formate 425.47
    2-methyl-1-butanol 152.48
    n-decane 2.95
    butyronitrile 91.22
    3,7-dimethyl-1-octanol 45.45
    1-chlorooctane 17.46
    1-chlorotetradecane 7.26
    n-nonane 2.45
    undecane 2.36
    tert-butylcyclohexane 3.45
    cyclooctane 1.18
    cyclopentanol 135.74
    tetrahydropyran 194.18
    tert-amyl methyl ether 230.2
    2,5,8-trioxanonane 226.64
    1-hexene 14.67
    2-isopropoxyethanol 216.9
    2,2,2-trifluoroethanol 125.43
    methyl butyrate 145.99

    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