4-Ethylphenol

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  • Identifiers

    CAS number
    123-07-9

    Molecular formula
    C8H10O

    SMILES
    CCC1=CC=C(C=C1)O

    Safety labels

    Corrosive
    Corrosive

    Retention indicies (RI)

    • DB5: 1165.0
    • Carbowax: 2095.33

  • Odor profile

    Phenolic 89.0%
    Medicinal 66.46%
    Smoky 63.25%
    Leathery 53.15%
    Spicy 51.2%
    Animal 49.13%
    Woody 46.24%
    Burnt 40.12%
    Musty 35.78%
    Herbal 30.52%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    122.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Melting point expt.

    • 46 °C
    • 44.00 to 46.00 °C. @ 760.00 mm Hg

    Boiling point

    • 217.9 °C
    • 218.00 to 219.00 °C. @ 760.00 mm Hg

    Flash point est.
    100.57 ˚C

    Flash point expt.

    • 104 °C
    • 219 °F (104 °C) (Open Cup)

    Solubility expt.

    • SLIGHTLY SOL IN WATER; SOL IN ALC, ETHER, & BENZENE; SOL IN CARBON DISULFIDE, & ACETONE
    • In water, 4.90X10+3 mg/l at 25 °C
    • slightly soluble in water; soluble in oils
    • very soluble (in ethanol)

  • Synonyms

    • 4-ETHYLPHENOL
    • 123-07-9
    • p-Ethylphenol
    • Phenol, 4-ethyl-
    • Phenol, p-ethyl-
    • 1-Ethyl-4-hydroxybenzene
    • 1-Hydroxy-4-ethylbenzene
    • para-Ethylphenol
    • 4-Hydroxyphenylethane
    • 4-ethyl-phenol
    • Paraethylphenol
    • 4-Hydroxyethylbenzene
    • Hydroxyphenylethane, p-
    • FEMA No. 3156
    • Phenol, 3(or 4)-ethyl-
    • HSDB 5598
    • AGG7E6G0ZC
    • EINECS 204-598-6
    • MFCD00002393
    • NSC 62012
    • BRN 1363317
    • 29471-88-3
    • DTXSID4021977
    • CHEBI:49584
    • AI3-26063
    • 4-ETILFENOL
    • (4-hydroxyphenyl)ethane
    • BENZENE,1-ETHYL,4-HYDROXY
    • NSC-62012
    • P-HYDROXYETHYLBENZENE
    • P-ETHYLPHENOL [FHFI]
    • 4-ETHYLPHENOL [HSDB]
    • (P-HYDROXYPHENYL)ETHANE
    • DTXCID801977
    • 4-06-00-03020 (Beilstein Handbook Reference)
    • P-ETHYLPHENOL [EP IMPURITY]
    • METACRESOL IMPURITY K [EP IMPURITY]
    • P-ETHYLPHENOL (EP IMPURITY)
    • 4-ethyl phenol
    • CAS-123-07-9
    • METACRESOL IMPURITY K (EP IMPURITY)
    • UNII-AGG7E6G0ZC
    • pEthylphenol
    • p-ethyl phenol
    • Phenol, pethyl
    • Phenol, 4ethyl
    • 4-ethyl- phenol
    • 4Hydroxyethylbenzene
    • 4Hydroxyphenylethane
    • 1Ethyl4hydroxybenzene
    • 1Hydroxy4ethylbenzene
    • Hydroxyphenylethane, p
    • 4-ethyl-phenyl alcohol
    • 2ra6
    • 4-Ethylphenol, 99%
    • bmse000681
    • SCHEMBL28713
    • BIDD:ER0028
    • CHEMBL108475
    • SGCUT00257
    • 4-Ethylphenol, >=98%, FG
    • NSC62012
    • to_000047
    • Tox21_201533
    • Tox21_302986
    • p-Ethylphenol, 4-Hydroxyphenylethane
    • s6308
    • STL194291
    • 4-Ethylphenol, >=97.0% (GC)
    • AKOS000120205
    • CCG-356389
    • CS-W013552
    • FE61833
    • HY-W012836
    • NCGC00249062-01
    • NCGC00256558-01
    • NCGC00259083-01
    • BS-14729
    • 4-Ethylphenol 10 microg/mL in Acetonitrile
    • 4-Ethylphenol 1000 microg/mL in Methanol
    • DB-003481
    • E0159
    • NS00010739
    • EN300-20678
    • D70486
    • 4-Ethylphenol, PESTANAL(R), analytical standard
    • Q409853
    • F1908-0166
    • Z104479728
    • 152399-67-2
    • 204-598-6
    • ETY

  • Applications

    4-Ethylphenol (CAS 123-07-9) is an important aromatic phenolic compound that functions as a versatile intermediate in organic synthesis and fragrance chemistry, and also as a key sensory marker monitored by the fermented beverage industry; in chemical manufacturing its reactive hydroxyl group and ethyl-substituted ring make it a convenient building block for azo dyes, antioxidants, thermoplastic stabilizers, high-temperature lubricant additives, crop-protection agents, and semi-synthetic pharmaceuticals; in the flavor and fragrance sector it modulates clove-like, woody, and smoky notes in candles, perfumery compositions, and tobacco products; in food and beverage research 4-ethylphenol is routinely quantified to manage the “barnyard/horse blanket” off-flavor produced by Brettanomyces yeasts in wine, craft beer, and fermented coffee, enabling producers to fine-tune fermentation conditions and safeguard final sensory quality.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2564.27
    methanol 752.19
    isopropanol 1739.15
    water 0.52
    ethyl acetate 2853.57
    n-propanol 2135.05
    acetone 2855.36
    n-butanol 1731.04
    acetonitrile 2757.71
    DMF 1919.67
    toluene 358.46
    isobutanol 1251.43
    1,4-dioxane 2847.02
    methyl acetate 2182.73
    THF 3329.82
    2-butanone 2620.74
    n-pentanol 698.33
    sec-butanol 1254.67
    n-hexane 48.46
    ethylene glycol 224.06
    NMP 772.34
    cyclohexane 83.36
    DMSO 2221.46
    n-butyl acetate 1395.04
    n-octanol 279.84
    chloroform 1971.96
    n-propyl acetate 806.78
    acetic acid 908.8
    dichloromethane 3198.33
    cyclohexanone 1617.39
    propylene glycol 347.33
    isopropyl acetate 883.06
    DMAc 918.4
    2-ethoxyethanol 802.62
    isopentanol 970.28
    n-heptane 98.92
    ethyl formate 1440.59
    1,2-dichloroethane 1947.26
    n-hexanol 1147.72
    2-methoxyethanol 1792.92
    isobutyl acetate 318.32
    tetrachloromethane 245.07
    n-pentyl acetate 381.51
    transcutol 2204.54
    n-heptanol 319.68
    ethylbenzene 140.45
    MIBK 631.88
    2-propoxyethanol 1459.22
    tert-butanol 1476.67
    MTBE 1251.7
    2-butoxyethanol 503.43
    propionic acid 1125.94
    o-xylene 165.01
    formic acid 188.91
    diethyl ether 2000.54
    m-xylene 221.81
    p-xylene 156.2
    chlorobenzene 501.24
    dimethyl carbonate 394.64
    n-octane 30.33
    formamide 611.31
    cyclopentanone 2193.16
    2-pentanone 2079.76
    anisole 422.15
    cyclopentyl methyl ether 1025.4
    gamma-butyrolactone 2474.2
    1-methoxy-2-propanol 1292.46
    pyridine 1467.58
    3-pentanone 1139.82
    furfural 1018.61
    n-dodecane 25.13
    diethylene glycol 655.11
    diisopropyl ether 292.87
    tert-amyl alcohol 937.27
    acetylacetone 1257.15
    n-hexadecane 28.28
    acetophenone 303.62
    methyl propionate 1625.1
    isopentyl acetate 798.08
    trichloroethylene 2524.54
    n-nonanol 220.88
    cyclohexanol 640.71
    benzyl alcohol 272.23
    2-ethylhexanol 484.69
    isooctanol 211.1
    dipropyl ether 855.25
    1,2-dichlorobenzene 333.61
    ethyl lactate 192.38
    propylene carbonate 882.79
    n-methylformamide 1345.48
    2-pentanol 829.26
    n-pentane 70.49
    1-propoxy-2-propanol 896.18
    1-methoxy-2-propyl acetate 865.18
    2-(2-methoxypropoxy) propanol 355.42
    mesitylene 113.27
    ε-caprolactone 1196.21
    p-cymene 118.97
    epichlorohydrin 3086.03
    1,1,1-trichloroethane 1283.98
    2-aminoethanol 599.92
    morpholine-4-carbaldehyde 1164.12
    sulfolane 1330.71
    2,2,4-trimethylpentane 34.17
    2-methyltetrahydrofuran 2465.55
    n-hexyl acetate 501.9
    isooctane 34.7
    2-(2-butoxyethoxy)ethanol 568.46
    sec-butyl acetate 373.06
    tert-butyl acetate 645.88
    decalin 36.15
    glycerin 307.2
    diglyme 1132.82
    acrylic acid 572.36
    isopropyl myristate 166.99
    n-butyric acid 1565.4
    acetyl acetate 750.1
    di(2-ethylhexyl) phthalate 132.66
    ethyl propionate 689.49
    nitromethane 2297.87
    1,2-diethoxyethane 1187.86
    benzonitrile 462.53
    trioctyl phosphate 111.29
    1-bromopropane 1182.2
    gamma-valerolactone 2013.86
    n-decanol 168.4
    triethyl phosphate 158.47
    4-methyl-2-pentanol 305.1
    propionitrile 1789.67
    vinylene carbonate 694.99
    1,1,2-trichlorotrifluoroethane 693.73
    DMS 362.12
    cumene 92.34
    2-octanol 181.68
    2-hexanone 744.16
    octyl acetate 225.9
    limonene 214.13
    1,2-dimethoxyethane 1376.81
    ethyl orthosilicate 156.07
    tributyl phosphate 142.51
    diacetone alcohol 648.18
    N,N-dimethylaniline 191.32
    acrylonitrile 1608.53
    aniline 481.04
    1,3-propanediol 1013.26
    bromobenzene 489.98
    dibromomethane 1710.77
    1,1,2,2-tetrachloroethane 1317.36
    2-methyl-cyclohexyl acetate 280.73
    tetrabutyl urea 178.81
    diisobutyl methanol 204.63
    2-phenylethanol 380.52
    styrene 194.03
    dioctyl adipate 219.85
    dimethyl sulfate 424.22
    ethyl butyrate 777.61
    methyl lactate 307.6
    butyl lactate 224.48
    diethyl carbonate 380.84
    propanediol butyl ether 363.66
    triethyl orthoformate 325.45
    p-tert-butyltoluene 118.16
    methyl 4-tert-butylbenzoate 258.85
    morpholine 3218.02
    tert-butylamine 782.19
    n-dodecanol 130.78
    dimethoxymethane 1606.59
    ethylene carbonate 679.77
    cyrene 238.54
    2-ethoxyethyl acetate 611.0
    2-ethylhexyl acetate 541.27
    1,2,4-trichlorobenzene 355.57
    4-methylpyridine 1184.56
    dibutyl ether 397.4
    2,6-dimethyl-4-heptanol 204.63
    DEF 1277.77
    dimethyl isosorbide 577.81
    tetrachloroethylene 722.83
    eugenol 245.79
    triacetin 327.29
    span 80 318.6
    1,4-butanediol 243.38
    1,1-dichloroethane 2001.12
    2-methyl-1-pentanol 451.16
    methyl formate 953.89
    2-methyl-1-butanol 918.48
    n-decane 40.06
    butyronitrile 1838.44
    3,7-dimethyl-1-octanol 242.45
    1-chlorooctane 165.65
    1-chlorotetradecane 66.31
    n-nonane 40.0
    undecane 31.39
    tert-butylcyclohexane 41.04
    cyclooctane 28.14
    cyclopentanol 880.12
    tetrahydropyran 2524.99
    tert-amyl methyl ether 600.12
    2,5,8-trioxanonane 650.62
    1-hexene 298.21
    2-isopropoxyethanol 479.41
    2,2,2-trifluoroethanol 222.55
    methyl butyrate 870.06

    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
Osmanthus absolute 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.4%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.05%
Mullilam leaf (India) Zanthoxylum rhetsa D.C. syn. Z. limonella (Dennst.) Alston, fam. Rutaceae 0.1%