4-Ethoxy-3-hydroxybenzaldehyde

Overview IFRA Request a quote

  • Identifiers

    CAS number
    2539-53-9

    Molecular formula
    C9H10O3

    SMILES
    CCOC1=C(C=C(C=C1)C=O)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Vanilla 80.18%
    Sweet 69.6%
    Creamy 53.64%
    Spicy 50.72%
    Phenolic 47.91%
    Powdery 44.37%
    Balsamic 43.45%
    Floral 42.69%
    Caramellic 40.07%
    Smoky 36.39%

     

    Flavor
    Sweet 81.81%
    Vanilla 64.04%
    Woody 54.07%
    Creamy 46.82%
    Powdery 43.87%
    Bitter 43.66%
    Spicy 43.49%
    Spice 36.83%
    Clove 36.15%
    Almond 34.03%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    8.36 (weak base)

    Molecular weight
    166.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    285°C

    Flash point

    • 128.38 ˚C est.

  • Synonyms

    • 4-Ethoxy-3-hydroxybenzaldehyde
    • 2539-53-9
    • Isoethylvanillin
    • Ethylisovanilline
    • Benzaldehyde, 4-ethoxy-3-hydroxy-
    • ZXT8NHP4HB
    • BRN 2048366
    • EINECS 219-812-3
    • UNII-ZXT8NHP4HB
    • 4-ethoxy-3-hydroxy benzaldehyde
    • DTXSID0062505
    • 3-hydroxy-4-ethoxybenzaldehyde
    • 3-hydroxy4-ethoxybenzaldehyde
    • SCHEMBL662141
    • 4-ethoxy-3-hydroxy-benzaldehyde
    • DTXCID4037293
    • MFCD00837591
    • AKOS006271726
    • FE71570
    • DB-067391
    • NS00027884
    • A51060
    • EN300-170131
    • AE-641/30608015
    • Q1674408
    • Z1198155327
    • 219-812-3

  • Applications

    Primarily used as an intermediate in fragrance and flavor chemistry, 4-Ethoxy-3-hydroxybenzaldehyde serves as a building block for the synthesis of substituted aroma compounds and fragrance materials. It is commonly evaluated for use in cosmetics and personal care as a fragrance ingredient or precursor. It may also be employed in household products as an odor-active component. In industrial manufacturing, it functions as a precursor for further aromatic compounds, including derivatives used in coatings, inks and polymer/resin formulations, making it relevant to polymers/plastics and related applications.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 60.52
    methanol 111.32
    isopropanol 33.54
    water 1.08
    ethyl acetate 86.5
    n-propanol 36.39
    acetone 241.63
    n-butanol 35.03
    acetonitrile 114.19
    DMF 385.48
    toluene 17.45
    isobutanol 24.86
    1,4-dioxane 211.49
    methyl acetate 121.0
    THF 285.95
    2-butanone 113.92
    n-pentanol 37.19
    sec-butanol 31.03
    n-hexane 4.62
    ethylene glycol 61.2
    NMP 216.92
    cyclohexane 4.43
    DMSO 769.8
    n-butyl acetate 134.55
    n-octanol 29.76
    chloroform 143.69
    n-propyl acetate 107.7
    acetic acid 181.46
    dichloromethane 209.24
    cyclohexanone 129.11
    propylene glycol 29.28
    isopropyl acetate 58.61
    DMAc 285.85
    2-ethoxyethanol 148.35
    isopentanol 44.04
    n-heptane 4.36
    ethyl formate 82.25
    1,2-dichloroethane 195.75
    n-hexanol 52.28
    2-methoxyethanol 195.71
    isobutyl acetate 68.34
    tetrachloromethane 23.53
    n-pentyl acetate 51.99
    transcutol 507.3
    n-heptanol 26.78
    ethylbenzene 25.93
    MIBK 66.87
    2-propoxyethanol 139.43
    tert-butanol 101.3
    MTBE 92.84
    2-butoxyethanol 74.1
    propionic acid 76.4
    o-xylene 25.89
    formic acid 131.15
    diethyl ether 72.56
    m-xylene 22.06
    p-xylene 32.45
    chlorobenzene 59.04
    dimethyl carbonate 86.51
    n-octane 2.85
    formamide 249.99
    cyclopentanone 208.93
    2-pentanone 80.31
    anisole 99.49
    cyclopentyl methyl ether 69.75
    gamma-butyrolactone 276.31
    1-methoxy-2-propanol 109.25
    pyridine 96.62
    3-pentanone 71.18
    furfural 247.48
    n-dodecane 3.3
    diethylene glycol 166.24
    diisopropyl ether 26.84
    tert-amyl alcohol 71.83
    acetylacetone 159.88
    n-hexadecane 3.8
    acetophenone 95.04
    methyl propionate 83.83
    isopentyl acetate 107.8
    trichloroethylene 296.61
    n-nonanol 29.46
    cyclohexanol 32.1
    benzyl alcohol 63.37
    2-ethylhexanol 41.87
    isooctanol 25.12
    dipropyl ether 51.39
    1,2-dichlorobenzene 74.2
    ethyl lactate 68.78
    propylene carbonate 128.31
    n-methylformamide 161.44
    2-pentanol 25.47
    n-pentane 2.85
    1-propoxy-2-propanol 95.82
    1-methoxy-2-propyl acetate 117.59
    2-(2-methoxypropoxy) propanol 108.76
    mesitylene 21.85
    ε-caprolactone 117.4
    p-cymene 25.46
    epichlorohydrin 278.27
    1,1,1-trichloroethane 108.76
    2-aminoethanol 58.7
    morpholine-4-carbaldehyde 240.42
    sulfolane 394.85
    2,2,4-trimethylpentane 5.32
    2-methyltetrahydrofuran 115.35
    n-hexyl acetate 74.41
    isooctane 4.21
    2-(2-butoxyethoxy)ethanol 130.09
    sec-butyl acetate 67.46
    tert-butyl acetate 100.5
    decalin 8.06
    glycerin 83.28
    diglyme 270.79
    acrylic acid 106.37
    isopropyl myristate 37.58
    n-butyric acid 79.82
    acetyl acetate 88.42
    di(2-ethylhexyl) phthalate 38.6
    ethyl propionate 86.12
    nitromethane 414.01
    1,2-diethoxyethane 137.66
    benzonitrile 76.82
    trioctyl phosphate 28.71
    1-bromopropane 57.4
    gamma-valerolactone 237.45
    n-decanol 24.14
    triethyl phosphate 57.84
    4-methyl-2-pentanol 27.46
    propionitrile 78.08
    vinylene carbonate 127.76
    1,1,2-trichlorotrifluoroethane 208.6
    DMS 112.0
    cumene 24.4
    2-octanol 19.64
    2-hexanone 94.51
    octyl acetate 44.4
    limonene 33.93
    1,2-dimethoxyethane 272.59
    ethyl orthosilicate 50.08
    tributyl phosphate 40.45
    diacetone alcohol 112.83
    N,N-dimethylaniline 66.75
    acrylonitrile 127.41
    aniline 44.71
    1,3-propanediol 74.14
    bromobenzene 56.5
    dibromomethane 114.06
    1,1,2,2-tetrachloroethane 201.49
    2-methyl-cyclohexyl acetate 70.36
    tetrabutyl urea 53.8
    diisobutyl methanol 30.86
    2-phenylethanol 65.44
    styrene 34.62
    dioctyl adipate 59.54
    dimethyl sulfate 173.17
    ethyl butyrate 86.01
    methyl lactate 77.61
    butyl lactate 52.91
    diethyl carbonate 75.6
    propanediol butyl ether 74.39
    triethyl orthoformate 65.87
    p-tert-butyltoluene 25.53
    methyl 4-tert-butylbenzoate 80.5
    morpholine 175.39
    tert-butylamine 52.62
    n-dodecanol 20.01
    dimethoxymethane 196.05
    ethylene carbonate 100.26
    cyrene 110.07
    2-ethoxyethyl acetate 96.39
    2-ethylhexyl acetate 82.41
    1,2,4-trichlorobenzene 89.47
    4-methylpyridine 78.97
    dibutyl ether 50.51
    2,6-dimethyl-4-heptanol 30.86
    DEF 112.47
    dimethyl isosorbide 166.56
    tetrachloroethylene 136.72
    eugenol 87.73
    triacetin 100.11
    span 80 67.91
    1,4-butanediol 39.11
    1,1-dichloroethane 102.03
    2-methyl-1-pentanol 44.14
    methyl formate 163.25
    2-methyl-1-butanol 34.38
    n-decane 4.7
    butyronitrile 61.37
    3,7-dimethyl-1-octanol 37.35
    1-chlorooctane 22.68
    1-chlorotetradecane 11.52
    n-nonane 4.07
    undecane 3.85
    tert-butylcyclohexane 7.98
    cyclooctane 2.46
    cyclopentanol 37.82
    tetrahydropyran 96.08
    tert-amyl methyl ether 70.05
    2,5,8-trioxanonane 188.77
    1-hexene 20.37
    2-isopropoxyethanol 97.03
    2,2,2-trifluoroethanol 92.68
    methyl butyrate 113.73

    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