4-Propoxyphenol

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  • Identifiers

    CAS number
    18979-50-5

    Molecular formula
    C9H12O2

    SMILES
    CCCOC1=CC=C(C=C1)O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Sweet 88.52%
    Phenolic 75.05%
    Vanilla 62.01%
    Anisic 46.8%
    Medicinal 46.77%
    Smoky 43.47%
    Aromatic 42.07%
    Spicy 41.46%
    Nutty 40.55%
    Balsamic 38.87%

    Scent© AI

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    9.51 (weak base)

    Molecular weight
    152.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    261°C

    Flash point est.
    110.01 ˚C

  • Synonyms

    • 4-PROPOXYPHENOL
    • 18979-50-5
    • Phenol, 4-propoxy-
    • 4-n-Propoxyphenol
    • p-Propoxyphenol
    • Phenol, p-propoxy-
    • 4-Propyloxyphenol
    • Hydroquinone monopropyl ether
    • p-Propoxy phenol
    • 4-propoxy phenol
    • ZJ9EF57C3B
    • MFCD00002335
    • NSC 82358
    • NSC-82358
    • DTXSID6066442
    • 4-Propoxy-phenol
    • NSC82358
    • PARA-PROPOXYPHENOL
    • UNII-ZJ9EF57C3B
    • Phenol, p-propoxy-(8CI)
    • SCHEMBL56796
    • CHEMBL225183
    • DTXCID2035988
    • BBL013152
    • STK081310
    • AKOS000120776
    • FP61842
    • GS-6662
    • SY036399
    • CS-0000196
    • NS00115923
    • P0955
    • EN300-17908
    • D70163
    • Q63409285
    • F0001-0684
    • 679-814-9

  • Applications

    4-Propoxyphenol (p-propoxyphenol) is a versatile phenolic intermediate used to build 4-propoxyphenyl scaffolds via ether/ester formation for the synthesis of pharmaceuticals, agrochemicals, fragrances, and colorants; the electron-rich ring enabled by the alkoxy substituent makes it an effective coupling component for azo dyes and pigments, and a practical precursor to UV absorbers, antioxidants, and polymerization inhibitors for plastics, rubber, and inks; it also serves as a building block in liquid-crystal materials based on benzoate/biphenyl cores, where the propoxy chain helps tune mesophase temperatures and orientation, and in UV-curable coatings/adhesives via acrylate/methacrylate derivatization; in analytical chemistry and materials science, 4-propoxyphenol is employed as a model phenolic substrate for redox studies, as a calibration standard, and for surface functionalization of metal oxides through phenolate anchoring; overall, its rich derivatization profile (O-acylation, O-alkylation, sulfonylation, ortho-directed halogenation, etc.) enables optimization of solubility, stability, and activity across diverse value chains.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2301.28
    methanol 2212.88
    isopropanol 1361.63
    water 0.59
    ethyl acetate 1954.55
    n-propanol 1344.59
    acetone 1267.8
    n-butanol 1157.1
    acetonitrile 1635.14
    DMF 704.03
    toluene 280.81
    isobutanol 815.74
    1,4-dioxane 1916.12
    methyl acetate 1685.2
    THF 1921.6
    2-butanone 1361.62
    n-pentanol 876.74
    sec-butanol 1166.43
    n-hexane 115.23
    ethylene glycol 400.84
    NMP 351.28
    cyclohexane 100.35
    DMSO 2031.05
    n-butyl acetate 1301.04
    n-octanol 351.48
    chloroform 1616.58
    n-propyl acetate 997.77
    acetic acid 1053.1
    dichloromethane 2008.09
    cyclohexanone 797.33
    propylene glycol 522.75
    isopropyl acetate 708.76
    DMAc 764.0
    2-ethoxyethanol 1294.44
    isopentanol 894.39
    n-heptane 78.61
    ethyl formate 718.25
    1,2-dichloroethane 1303.97
    n-hexanol 844.79
    2-methoxyethanol 1617.52
    isobutyl acetate 507.34
    tetrachloromethane 232.76
    n-pentyl acetate 415.63
    transcutol 3442.66
    n-heptanol 287.14
    ethylbenzene 217.25
    MIBK 473.14
    2-propoxyethanol 1160.99
    tert-butanol 1792.85
    MTBE 1522.01
    2-butoxyethanol 494.2
    propionic acid 911.45
    o-xylene 182.7
    formic acid 304.04
    diethyl ether 1736.73
    m-xylene 178.31
    p-xylene 247.19
    chlorobenzene 399.48
    dimethyl carbonate 304.25
    n-octane 39.4
    formamide 592.01
    cyclopentanone 773.46
    2-pentanone 896.37
    anisole 570.69
    cyclopentyl methyl ether 674.67
    gamma-butyrolactone 962.2
    1-methoxy-2-propanol 1099.52
    pyridine 873.01
    3-pentanone 630.32
    furfural 812.79
    n-dodecane 35.83
    diethylene glycol 828.27
    diisopropyl ether 305.24
    tert-amyl alcohol 1350.59
    acetylacetone 888.54
    n-hexadecane 39.38
    acetophenone 442.38
    methyl propionate 925.65
    isopentyl acetate 913.07
    trichloroethylene 1835.42
    n-nonanol 285.59
    cyclohexanol 550.57
    benzyl alcohol 421.04
    2-ethylhexanol 478.98
    isooctanol 240.92
    dipropyl ether 663.41
    1,2-dichlorobenzene 345.0
    ethyl lactate 309.62
    propylene carbonate 642.97
    n-methylformamide 554.82
    2-pentanol 774.77
    n-pentane 96.13
    1-propoxy-2-propanol 842.97
    1-methoxy-2-propyl acetate 724.51
    2-(2-methoxypropoxy) propanol 556.56
    mesitylene 123.44
    ε-caprolactone 790.28
    p-cymene 143.13
    epichlorohydrin 1554.78
    1,1,1-trichloroethane 1015.0
    2-aminoethanol 687.39
    morpholine-4-carbaldehyde 836.5
    sulfolane 930.9
    2,2,4-trimethylpentane 67.22
    2-methyltetrahydrofuran 1373.17
    n-hexyl acetate 623.9
    isooctane 50.54
    2-(2-butoxyethoxy)ethanol 822.12
    sec-butyl acetate 559.78
    tert-butyl acetate 663.79
    decalin 69.98
    glycerin 514.8
    diglyme 1386.45
    acrylic acid 571.61
    isopropyl myristate 240.08
    n-butyric acid 1099.8
    acetyl acetate 746.77
    di(2-ethylhexyl) phthalate 185.36
    ethyl propionate 684.49
    nitromethane 1443.68
    1,2-diethoxyethane 1307.3
    benzonitrile 523.04
    trioctyl phosphate 147.05
    1-bromopropane 930.08
    gamma-valerolactone 935.17
    n-decanol 218.23
    triethyl phosphate 234.39
    4-methyl-2-pentanol 358.78
    propionitrile 1141.78
    vinylene carbonate 551.46
    1,1,2-trichlorotrifluoroethane 849.18
    DMS 482.26
    cumene 150.25
    2-octanol 220.88
    2-hexanone 821.77
    octyl acetate 299.17
    limonene 222.19
    1,2-dimethoxyethane 1667.09
    ethyl orthosilicate 235.66
    tributyl phosphate 222.65
    diacetone alcohol 686.64
    N,N-dimethylaniline 303.75
    acrylonitrile 997.58
    aniline 442.15
    1,3-propanediol 871.13
    bromobenzene 446.49
    dibromomethane 1364.09
    1,1,2,2-tetrachloroethane 1393.14
    2-methyl-cyclohexyl acetate 378.32
    tetrabutyl urea 254.54
    diisobutyl methanol 241.58
    2-phenylethanol 438.49
    styrene 302.02
    dioctyl adipate 330.76
    dimethyl sulfate 371.89
    ethyl butyrate 696.78
    methyl lactate 308.94
    butyl lactate 321.61
    diethyl carbonate 470.93
    propanediol butyl ether 546.86
    triethyl orthoformate 393.7
    p-tert-butyltoluene 140.01
    methyl 4-tert-butylbenzoate 304.56
    morpholine 1950.78
    tert-butylamine 1095.04
    n-dodecanol 173.13
    dimethoxymethane 892.74
    ethylene carbonate 493.66
    cyrene 328.07
    2-ethoxyethyl acetate 628.81
    2-ethylhexyl acetate 669.71
    1,2,4-trichlorobenzene 405.95
    4-methylpyridine 750.68
    dibutyl ether 547.68
    2,6-dimethyl-4-heptanol 241.58
    DEF 796.2
    dimethyl isosorbide 665.92
    tetrachloroethylene 833.49
    eugenol 338.44
    triacetin 512.41
    span 80 425.52
    1,4-butanediol 423.81
    1,1-dichloroethane 1267.91
    2-methyl-1-pentanol 735.41
    methyl formate 426.31
    2-methyl-1-butanol 805.01
    n-decane 56.95
    butyronitrile 1122.62
    3,7-dimethyl-1-octanol 369.85
    1-chlorooctane 225.24
    1-chlorotetradecane 94.33
    n-nonane 59.39
    undecane 43.59
    tert-butylcyclohexane 82.81
    cyclooctane 36.36
    cyclopentanol 524.58
    tetrahydropyran 1494.1
    tert-amyl methyl ether 858.69
    2,5,8-trioxanonane 887.42
    1-hexene 514.54
    2-isopropoxyethanol 873.93
    2,2,2-trifluoroethanol 258.51
    methyl butyrate 922.21

    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

Botanical

Name CAS Botanical Proportion
Lemon balm (Finland) 8014-71-9 Melissa officinalis L., fam. Lamiaceae (Labiatae) 1.1%