3-Ethoxyphenol

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  • Identifiers

    CAS number
    621-34-1

    Molecular formula
    C8H10O2

    SMILES
    CCOC1=CC=CC(=C1)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 77.79%
    Sweet 76.65%
    Medicinal 49.24%
    Vanilla 46.49%
    Nutty 41.89%
    Smoky 41.15%
    Woody 39.2%
    Spicy 37.98%
    Fruity 37.18%
    Aromatic 37.02%

     

    Flavor
    Phenolic 51.44%
    Sweet 40.32%
    Bitter 39.54%
    Fruity 34.44%
    Spicy 31.31%
    Smoky 30.44%
    Musty 29.44%
    Creamy 29.01%
    Vanilla 28.96%
    Medicinal 28.85%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.0

    pKa est.
    8.92 (weak base)

    Molecular weight
    138.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    241°C

    Flash point

    • 104.24 ˚C est.

  • Synonyms

    • 3-Ethoxyphenol
    • Phenol, 3-ethoxy-
    • m-Ethoxyphenol
    • Phenol, m-ethoxy-
    • Resorcinol monoethyl ether
    • UNII-IKY4O3474A
    • IKY4O3474A
    • NSC 4875
    • NSC-4875
    • EINECS 210-681-8
    • AI3-00795
    • DTXSID9060734
    • RefChem:93799
    • Phenol, m-ethoxy-(8CI)
    • DTXCID9043229
    • 210-681-8
    • InChI=1/C8H10O2/c1-2-10-8-5-3-4-7(9)6-8/h3-6,9H,2H2,1H
    • VBIKLMJHBGFTPV-UHFFFAOYSA-N
    • 621-34-1
    • 3-ethoxy-phenol
    • MFCD00016450
    • NSC4875
    • 3-(ethyloxy)phenol
    • 1-hydroxy-3-ethoxybenzene
    • SCHEMBL365637
    • SCHEMBL971905
    • CHEMBL449241
    • orb1987371
    • SCHEMBL1665140
    • SCHEMBL2078571
    • SCHEMBL3048684
    • SCHEMBL7471441
    • SCHEMBL9202743
    • SCHEMBL28912045
    • SCHEMBL30597483
    • CK1178
    • SBB005788
    • STL453725
    • AKOS009156557
    • FE64438
    • AS-45838
    • SY049381
    • E0051
    • NS00022522
    • EN300-61948
    • Q27280774
    • 621-34-1

  • Applications

    3-Ethoxyphenol (CAS 621-34-1) is primarily used as an organic intermediate in fragrance and flavor chemistry, serving as a building block for aromatic derivatives that appear in perfumery and taste applications. It also functions as a precursor in the synthesis of dyes and pigments and as a starting material for phenolic resins used in coatings and inks. Additionally, it may be employed in polymer and plastics development to introduce ether and phenolic functionality, and is evaluated as an intermediate in pharmaceutical and agrochemical synthesis in research and development.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 824.72
    methanol 873.84
    isopropanol 565.94
    water 2.46
    ethyl acetate 315.46
    n-propanol 528.31
    acetone 709.68
    n-butanol 432.61
    acetonitrile 542.99
    DMF 848.86
    toluene 87.74
    isobutanol 347.09
    1,4-dioxane 788.7
    methyl acetate 380.56
    THF 1122.21
    2-butanone 365.83
    n-pentanol 256.95
    sec-butanol 355.75
    n-hexane 48.7
    ethylene glycol 351.55
    NMP 513.46
    cyclohexane 97.88
    DMSO 1877.33
    n-butyl acetate 222.6
    n-octanol 185.02
    chloroform 675.41
    n-propyl acetate 182.92
    acetic acid 599.21
    dichloromethane 813.52
    cyclohexanone 462.46
    propylene glycol 371.64
    isopropyl acetate 149.34
    DMAc 522.93
    2-ethoxyethanol 376.26
    isopentanol 269.0
    n-heptane 68.98
    ethyl formate 266.99
    1,2-dichloroethane 459.39
    n-hexanol 336.93
    2-methoxyethanol 761.25
    isobutyl acetate 106.2
    tetrachloromethane 115.73
    n-pentyl acetate 118.94
    transcutol 891.99
    n-heptanol 126.7
    ethylbenzene 65.81
    MIBK 168.86
    2-propoxyethanol 481.2
    tert-butanol 646.41
    MTBE 290.01
    2-butoxyethanol 200.23
    propionic acid 394.37
    o-xylene 80.31
    formic acid 163.74
    diethyl ether 371.62
    m-xylene 80.11
    p-xylene 82.24
    chlorobenzene 164.73
    dimethyl carbonate 176.76
    n-octane 23.79
    formamide 278.13
    cyclopentanone 573.25
    2-pentanone 311.25
    anisole 200.64
    cyclopentyl methyl ether 339.59
    gamma-butyrolactone 636.36
    1-methoxy-2-propanol 535.31
    pyridine 294.65
    3-pentanone 218.76
    furfural 418.75
    n-dodecane 28.22
    diethylene glycol 472.76
    diisopropyl ether 87.86
    tert-amyl alcohol 369.75
    acetylacetone 353.44
    n-hexadecane 30.84
    acetophenone 163.26
    methyl propionate 285.98
    isopentyl acetate 167.37
    trichloroethylene 610.58
    n-nonanol 154.23
    cyclohexanol 338.44
    benzyl alcohol 168.09
    2-ethylhexanol 165.55
    isooctanol 96.53
    dipropyl ether 238.18
    1,2-dichlorobenzene 153.43
    ethyl lactate 137.77
    propylene carbonate 319.55
    n-methylformamide 397.1
    2-pentanol 246.65
    n-pentane 61.42
    1-propoxy-2-propanol 320.94
    1-methoxy-2-propyl acetate 234.41
    2-(2-methoxypropoxy) propanol 262.96
    mesitylene 61.56
    ε-caprolactone 327.29
    p-cymene 72.17
    epichlorohydrin 690.76
    1,1,1-trichloroethane 365.65
    2-aminoethanol 455.75
    morpholine-4-carbaldehyde 586.18
    sulfolane 888.23
    2,2,4-trimethylpentane 26.61
    2-methyltetrahydrofuran 547.21
    n-hexyl acetate 236.85
    isooctane 24.72
    2-(2-butoxyethoxy)ethanol 360.93
    sec-butyl acetate 94.61
    tert-butyl acetate 178.58
    decalin 37.65
    glycerin 399.93
    diglyme 617.82
    acrylic acid 337.27
    isopropyl myristate 115.72
    n-butyric acid 379.89
    acetyl acetate 205.82
    di(2-ethylhexyl) phthalate 111.85
    ethyl propionate 162.19
    nitromethane 763.05
    1,2-diethoxyethane 267.68
    benzonitrile 201.93
    trioctyl phosphate 93.07
    1-bromopropane 276.93
    gamma-valerolactone 549.93
    n-decanol 125.74
    triethyl phosphate 103.32
    4-methyl-2-pentanol 118.53
    propionitrile 346.95
    vinylene carbonate 289.32
    1,1,2-trichlorotrifluoroethane 423.93
    DMS 205.67
    cumene 59.28
    2-octanol 97.47
    2-hexanone 198.49
    octyl acetate 149.91
    limonene 117.81
    1,2-dimethoxyethane 638.54
    ethyl orthosilicate 94.27
    tributyl phosphate 108.85
    diacetone alcohol 267.49
    N,N-dimethylaniline 135.52
    acrylonitrile 400.12
    aniline 173.42
    1,3-propanediol 462.54
    bromobenzene 164.43
    dibromomethane 519.72
    1,1,2,2-tetrachloroethane 490.1
    2-methyl-cyclohexyl acetate 148.31
    tetrabutyl urea 150.94
    diisobutyl methanol 97.15
    2-phenylethanol 175.85
    styrene 87.32
    dioctyl adipate 171.7
    dimethyl sulfate 298.9
    ethyl butyrate 181.64
    methyl lactate 215.08
    butyl lactate 130.86
    diethyl carbonate 143.56
    propanediol butyl ether 257.25
    triethyl orthoformate 124.96
    p-tert-butyltoluene 71.19
    methyl 4-tert-butylbenzoate 191.26
    morpholine 786.29
    tert-butylamine 367.58
    n-dodecanol 106.75
    dimethoxymethane 593.61
    ethylene carbonate 247.72
    cyrene 224.7
    2-ethoxyethyl acetate 179.67
    2-ethylhexyl acetate 125.24
    1,2,4-trichlorobenzene 181.51
    4-methylpyridine 245.34
    dibutyl ether 181.08
    2,6-dimethyl-4-heptanol 97.15
    DEF 326.12
    dimethyl isosorbide 373.61
    tetrachloroethylene 285.65
    eugenol 190.83
    triacetin 239.27
    span 80 249.8
    1,4-butanediol 210.44
    1,1-dichloroethane 418.95
    2-methyl-1-pentanol 176.9
    methyl formate 352.64
    2-methyl-1-butanol 254.17
    n-decane 39.87
    butyronitrile 339.92
    3,7-dimethyl-1-octanol 152.76
    1-chlorooctane 117.15
    1-chlorotetradecane 63.34
    n-nonane 40.28
    undecane 32.72
    tert-butylcyclohexane 36.73
    cyclooctane 30.43
    cyclopentanol 415.57
    tetrahydropyran 637.84
    tert-amyl methyl ether 192.29
    2,5,8-trioxanonane 489.79
    1-hexene 128.02
    2-isopropoxyethanol 242.98
    2,2,2-trifluoroethanol 157.72
    methyl butyrate 216.92

    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