4-Ethylresorcinol

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  • Identifiers

    CAS number
    2896-60-8

    Molecular formula
    C8H10O2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 88.45%
    Medicinal 62.45%
    Smoky 58.99%
    Sweet 51.78%
    Spicy 47.27%
    Burnt 44.57%
    Woody 40.74%
    Musty 36.84%
    Leathery 35.96%
    Vanilla 33.66%

     

    Flavor
    Phenolic 77.62%
    Medicinal 55.76%
    Phenol 39.4%
    Smoke 39.04%
    Smoky 37.36%
    Mild 31.33%
    Bitter 31.05%
    Bacon 29.82%
    Musty 29.7%
    Medical 29.15%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.3

    pKa est.
    10.67 (weak base)

    Molecular weight
    138.16 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    284°C

    Flash point

    • 141.8 ˚C est.

  • Synonyms

    • 4-ETHYLRESORCINOL
    • 4-ethylbenzene-1,3-diol
    • 1,3-Benzenediol, 4-ethyl-
    • 6-Ethylresorcinol
    • Resorcinol, 4-ethyl-
    • 1,3-Dihydroxy-4-ethylbenzene
    • 2,4-Dihydroxy-1-ethylbenzene
    • 4-Ethyl-1,3-benzenediol
    • UNII-8YE81T06D5
    • 8YE81T06D5
    • EINECS 220-777-1
    • NSC 62013
    • NSC-62013
    • DTXSID5062689
    • RefChem:98922
    • Resorcinol, 4-ethyl-(8CI)
    • DTXCID2037897
    • 220-777-1
    • InChI=1/C8H10O2/c1-2-6-3-4-7(9)5-8(6)10/h3-5,9-10H,2H2,1H
    • VGMJYYDKPUPTID-UHFFFAOYSA-N
    • 2896-60-8
    • 4-ETHYL RESORCINOL
    • MFCD00002283
    • 4-ethyl-benzene-1,3-diol
    • CHEMBL2332776
    • 4-Ethyl-resorcinol
    • 2,4-Dihydroxyethylbenzene
    • 4-Ethylresorcinol, 98%
    • SCHEMBL40375
    • 4-Ethyl-1,3-benzenediol #
    • orb1690635
    • SCHEMBL3209275
    • SCHEMBL3209281
    • SCHEMBL28093181
    • SCHEMBL28309886
    • SCHEMBL29492456
    • CHEBI:229015
    • NSC62013
    • BDBM50187502
    • EBC-03126
    • MSK001609
    • AKOS000121510
    • CS-W016498
    • FE37029
    • HY-W015782
    • MSK001609-100M
    • AS-12565
    • PD158326
    • SY049095
    • DB-047495
    • D0579
    • NS00028587
    • ST50331805
    • EN300-21483
    • A10868
    • 4-Ethylresorcinol Solution in Methanol, 100ug/mL
    • 896E608
    • F208859
    • Q15726090
    • Z104499414
    • 2896-60-8

  • Applications

    Chemical name: 4-Ethylresorcinol, CAS number: 2896-60-8. 4-Ethylresorcinol is primarily used as an organic synthesis intermediate in the production of specialty chemicals, serving as a precursor for dye and pigment chemistry and for various plastic additives; it is evaluated as a precursor for UV stabilizers and antioxidants used in polymers, coatings, and adhesives; it may be employed as a fragrance material or odorant in perfumery and cosmetics; it functions as an intermediate in the synthesis of pharmaceutical compounds; and it can act as a stabilizer or crosslinking agent in coating and ink systems.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1280.29
    methanol 1070.24
    isopropanol 844.06
    water 1.3
    ethyl acetate 702.97
    n-propanol 862.99
    acetone 1642.66
    n-butanol 636.21
    acetonitrile 1218.21
    DMF 1587.51
    toluene 43.09
    isobutanol 456.03
    1,4-dioxane 1842.45
    methyl acetate 746.71
    THF 2844.89
    2-butanone 758.62
    n-pentanol 308.99
    sec-butanol 406.89
    n-hexane 11.64
    ethylene glycol 183.47
    NMP 677.31
    cyclohexane 16.24
    DMSO 2369.03
    n-butyl acetate 320.82
    n-octanol 142.93
    chloroform 245.95
    n-propyl acetate 274.21
    acetic acid 532.56
    dichloromethane 439.77
    cyclohexanone 660.43
    propylene glycol 230.15
    isopropyl acetate 273.38
    DMAc 419.39
    2-ethoxyethanol 432.88
    isopentanol 360.11
    n-heptane 25.21
    ethyl formate 553.55
    1,2-dichloroethane 370.09
    n-hexanol 420.9
    2-methoxyethanol 1099.38
    isobutyl acetate 125.08
    tetrachloromethane 43.09
    n-pentyl acetate 130.84
    transcutol 807.16
    n-heptanol 145.93
    ethylbenzene 27.64
    MIBK 264.82
    2-propoxyethanol 625.31
    tert-butanol 808.9
    MTBE 405.18
    2-butoxyethanol 236.76
    propionic acid 459.37
    o-xylene 34.36
    formic acid 203.93
    diethyl ether 630.34
    m-xylene 47.39
    p-xylene 36.53
    chlorobenzene 94.22
    dimethyl carbonate 197.4
    n-octane 9.68
    formamide 580.63
    cyclopentanone 1270.51
    2-pentanone 666.73
    anisole 139.01
    cyclopentyl methyl ether 508.27
    gamma-butyrolactone 1512.43
    1-methoxy-2-propanol 765.55
    pyridine 318.16
    3-pentanone 299.41
    furfural 514.98
    n-dodecane 11.09
    diethylene glycol 449.03
    diisopropyl ether 102.0
    tert-amyl alcohol 380.8
    acetylacetone 545.75
    n-hexadecane 12.37
    acetophenone 111.03
    methyl propionate 487.64
    isopentyl acetate 221.21
    trichloroethylene 440.38
    n-nonanol 121.05
    cyclohexanol 263.82
    benzyl alcohol 108.51
    2-ethylhexanol 157.36
    isooctanol 102.68
    dipropyl ether 245.62
    1,2-dichlorobenzene 80.42
    ethyl lactate 109.88
    propylene carbonate 484.64
    n-methylformamide 1101.01
    2-pentanol 296.52
    n-pentane 13.98
    1-propoxy-2-propanol 364.16
    1-methoxy-2-propyl acetate 291.94
    2-(2-methoxypropoxy) propanol 190.39
    mesitylene 36.2
    ε-caprolactone 470.37
    p-cymene 38.02
    epichlorohydrin 1427.3
    1,1,1-trichloroethane 235.53
    2-aminoethanol 389.99
    morpholine-4-carbaldehyde 748.9
    sulfolane 1136.31
    2,2,4-trimethylpentane 11.4
    2-methyltetrahydrofuran 1177.43
    n-hexyl acetate 197.14
    isooctane 13.86
    2-(2-butoxyethoxy)ethanol 310.07
    sec-butyl acetate 122.73
    tert-butyl acetate 268.8
    decalin 10.72
    glycerin 265.38
    diglyme 568.78
    acrylic acid 310.52
    isopropyl myristate 88.33
    n-butyric acid 581.01
    acetyl acetate 279.15
    di(2-ethylhexyl) phthalate 73.69
    ethyl propionate 213.64
    nitromethane 1609.61
    1,2-diethoxyethane 327.33
    benzonitrile 145.76
    trioctyl phosphate 73.07
    1-bromopropane 165.12
    gamma-valerolactone 1125.03
    n-decanol 97.32
    triethyl phosphate 75.95
    4-methyl-2-pentanol 146.7
    propionitrile 555.07
    vinylene carbonate 352.65
    1,1,2-trichlorotrifluoroethane 333.04
    DMS 151.81
    cumene 27.63
    2-octanol 93.71
    2-hexanone 271.1
    octyl acetate 116.48
    limonene 66.58
    1,2-dimethoxyethane 807.03
    ethyl orthosilicate 72.24
    tributyl phosphate 81.0
    diacetone alcohol 353.42
    N,N-dimethylaniline 71.52
    acrylonitrile 572.39
    aniline 113.66
    1,3-propanediol 622.89
    bromobenzene 69.99
    dibromomethane 230.5
    1,1,2,2-tetrachloroethane 275.14
    2-methyl-cyclohexyl acetate 121.22
    tetrabutyl urea 100.21
    diisobutyl methanol 93.48
    2-phenylethanol 139.37
    styrene 31.58
    dioctyl adipate 114.46
    dimethyl sulfate 270.15
    ethyl butyrate 201.72
    methyl lactate 193.95
    butyl lactate 109.83
    diethyl carbonate 119.07
    propanediol butyl ether 200.78
    triethyl orthoformate 112.81
    p-tert-butyltoluene 41.57
    methyl 4-tert-butylbenzoate 142.7
    morpholine 1758.22
    tert-butylamine 346.31
    n-dodecanol 77.57
    dimethoxymethane 1020.64
    ethylene carbonate 338.25
    cyrene 172.64
    2-ethoxyethyl acetate 198.9
    2-ethylhexyl acetate 147.62
    1,2,4-trichlorobenzene 96.15
    4-methylpyridine 255.99
    dibutyl ether 145.67
    2,6-dimethyl-4-heptanol 93.48
    DEF 447.46
    dimethyl isosorbide 329.58
    tetrachloroethylene 148.0
    eugenol 135.86
    triacetin 156.78
    span 80 173.29
    1,4-butanediol 164.64
    1,1-dichloroethane 341.25
    2-methyl-1-pentanol 174.71
    methyl formate 902.82
    2-methyl-1-butanol 289.9
    n-decane 16.27
    butyronitrile 608.01
    3,7-dimethyl-1-octanol 118.62
    1-chlorooctane 70.59
    1-chlorotetradecane 31.99
    n-nonane 14.86
    undecane 13.16
    tert-butylcyclohexane 12.81
    cyclooctane 6.54
    cyclopentanol 505.65
    tetrahydropyran 1121.34
    tert-amyl methyl ether 198.69
    2,5,8-trioxanonane 361.54
    1-hexene 61.48
    2-isopropoxyethanol 250.37
    2,2,2-trifluoroethanol 163.76
    methyl butyrate 294.3

    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