3,4-Diethylphenol

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  • Identifiers

    CAS number
    875-85-4

    Molecular formula
    C10H14O

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 79.15%
    Spicy 58.78%
    Smoky 54.61%
    Medicinal 50.99%
    Leathery 50.47%
    Woody 43.5%
    Animal 43.07%
    Burnt 39.54%
    Musty 32.16%
    Herbal 29.66%

     

    Flavor
    Phenolic 59.81%
    Medicinal 53.37%
    Woody 46.11%
    Spicy 41.83%
    Spice 40.29%
    Smoky 34.87%
    Leather 31.18%
    Camphor 30.59%
    Smoke 28.74%
    Phenol 28.58%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    10.59 (weak base)

    Molecular weight
    150.22 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    244°C

    Flash point

    • 115.4 ˚C est.

  • Synonyms

    • 3,4-Diethylphenol
    • 875-85-4
    • Phenol, 3,4-diethyl-
    • SCHEMBL1724358
    • SCHEMBL2866532
    • SCHEMBL30979257
    • DTXSID30236370
    • MB23941
    • 875-85-4

  • Applications

    3,4-Diethylphenol (CAS 875-85-4) is commonly used as an intermediate in the synthesis of specialty chemicals, including dyes and pigments, and can serve as a precursor for fragrance-related aromatic compounds. In polymer and coating formulations, it is evaluated as a building block for stabilizers and antioxidants, and it also serves as a feedstock for related additives used in inks and adhesives. Its use is typically governed by local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3341.99
    methanol 2455.62
    isopropanol 2121.93
    water 0.37
    ethyl acetate 2080.84
    n-propanol 2662.78
    acetone 4188.51
    n-butanol 1887.64
    acetonitrile 4175.69
    DMF 3883.97
    toluene 916.04
    isobutanol 1413.12
    1,4-dioxane 4866.11
    methyl acetate 2311.07
    THF 6414.77
    2-butanone 2779.84
    n-pentanol 889.43
    sec-butanol 1328.18
    n-hexane 290.94
    ethylene glycol 259.66
    NMP 1893.94
    cyclohexane 468.18
    DMSO 3936.24
    n-butyl acetate 1803.1
    n-octanol 443.42
    chloroform 4229.64
    n-propyl acetate 971.97
    acetic acid 730.07
    dichloromethane 6167.12
    cyclohexanone 3054.88
    propylene glycol 310.45
    isopropyl acetate 809.25
    DMAc 1053.47
    2-ethoxyethanol 827.6
    isopentanol 908.94
    n-heptane 272.51
    ethyl formate 1830.77
    1,2-dichloroethane 4397.36
    n-hexanol 1593.97
    2-methoxyethanol 1990.86
    isobutyl acetate 466.72
    tetrachloromethane 794.26
    n-pentyl acetate 654.59
    transcutol 1255.61
    n-heptanol 487.2
    ethylbenzene 377.57
    MIBK 722.48
    2-propoxyethanol 1649.8
    tert-butanol 1621.06
    MTBE 1663.34
    2-butoxyethanol 606.43
    propionic acid 1028.42
    o-xylene 378.3
    formic acid 161.7
    diethyl ether 3044.88
    m-xylene 483.66
    p-xylene 384.08
    chlorobenzene 1188.35
    dimethyl carbonate 489.2
    n-octane 115.12
    formamide 526.97
    cyclopentanone 4055.72
    2-pentanone 2136.76
    anisole 712.94
    cyclopentyl methyl ether 1982.85
    gamma-butyrolactone 3967.4
    1-methoxy-2-propanol 1322.06
    pyridine 2540.32
    3-pentanone 1396.53
    furfural 1591.31
    n-dodecane 77.9
    diethylene glycol 746.88
    diisopropyl ether 433.48
    tert-amyl alcohol 945.59
    acetylacetone 1309.84
    n-hexadecane 91.67
    acetophenone 463.13
    methyl propionate 1608.64
    isopentyl acetate 1024.55
    trichloroethylene 4609.31
    n-nonanol 350.23
    cyclohexanol 1144.4
    benzyl alcohol 430.56
    2-ethylhexanol 633.54
    isooctanol 330.74
    dipropyl ether 1257.5
    1,2-dichlorobenzene 789.48
    ethyl lactate 245.14
    propylene carbonate 1333.08
    n-methylformamide 2685.42
    2-pentanol 886.66
    n-pentane 320.2
    1-propoxy-2-propanol 1011.48
    1-methoxy-2-propyl acetate 854.05
    2-(2-methoxypropoxy) propanol 343.26
    mesitylene 278.67
    ε-caprolactone 1865.72
    p-cymene 251.38
    epichlorohydrin 4819.21
    1,1,1-trichloroethane 2511.37
    2-aminoethanol 610.58
    morpholine-4-carbaldehyde 1863.99
    sulfolane 3052.63
    2,2,4-trimethylpentane 86.84
    2-methyltetrahydrofuran 3591.72
    n-hexyl acetate 826.61
    isooctane 84.38
    2-(2-butoxyethoxy)ethanol 572.75
    sec-butyl acetate 423.66
    tert-butyl acetate 703.8
    decalin 137.71
    glycerin 300.02
    diglyme 1177.44
    acrylic acid 598.77
    isopropyl myristate 278.57
    n-butyric acid 1381.18
    acetyl acetate 649.62
    di(2-ethylhexyl) phthalate 197.61
    ethyl propionate 757.88
    nitromethane 2592.7
    1,2-diethoxyethane 1183.34
    benzonitrile 836.54
    trioctyl phosphate 193.32
    1-bromopropane 2925.85
    gamma-valerolactone 3502.78
    n-decanol 264.0
    triethyl phosphate 219.06
    4-methyl-2-pentanol 334.2
    propionitrile 3031.75
    vinylene carbonate 1136.71
    1,1,2-trichlorotrifluoroethane 925.92
    DMS 477.11
    cumene 224.87
    2-octanol 346.31
    2-hexanone 1035.43
    octyl acetate 378.66
    limonene 444.23
    1,2-dimethoxyethane 2078.9
    ethyl orthosilicate 215.98
    tributyl phosphate 212.96
    diacetone alcohol 651.42
    N,N-dimethylaniline 342.07
    acrylonitrile 2748.53
    aniline 802.38
    1,3-propanediol 977.14
    bromobenzene 1332.63
    dibromomethane 4222.18
    1,1,2,2-tetrachloroethane 2791.26
    2-methyl-cyclohexyl acetate 382.95
    tetrabutyl urea 290.0
    diisobutyl methanol 294.73
    2-phenylethanol 549.86
    styrene 516.43
    dioctyl adipate 307.9
    dimethyl sulfate 634.2
    ethyl butyrate 816.53
    methyl lactate 349.45
    butyl lactate 323.77
    diethyl carbonate 418.71
    propanediol butyl ether 410.13
    triethyl orthoformate 373.52
    p-tert-butyltoluene 248.53
    methyl 4-tert-butylbenzoate 378.08
    morpholine 5115.5
    tert-butylamine 1029.75
    n-dodecanol 210.31
    dimethoxymethane 2660.53
    ethylene carbonate 1150.41
    cyrene 321.03
    2-ethoxyethyl acetate 680.48
    2-ethylhexyl acetate 790.18
    1,2,4-trichlorobenzene 754.03
    4-methylpyridine 2016.74
    dibutyl ether 696.76
    2,6-dimethyl-4-heptanol 294.73
    DEF 1768.41
    dimethyl isosorbide 669.47
    tetrachloroethylene 1774.95
    eugenol 337.17
    triacetin 362.22
    span 80 357.36
    1,4-butanediol 288.66
    1,1-dichloroethane 3872.44
    2-methyl-1-pentanol 519.11
    methyl formate 1941.82
    2-methyl-1-butanol 914.04
    n-decane 135.03
    butyronitrile 2821.55
    3,7-dimethyl-1-octanol 329.83
    1-chlorooctane 445.76
    1-chlorotetradecane 164.57
    n-nonane 147.73
    undecane 100.23
    tert-butylcyclohexane 128.14
    cyclooctane 148.98
    cyclopentanol 1524.87
    tetrahydropyran 4795.0
    tert-amyl methyl ether 823.1
    2,5,8-trioxanonane 653.78
    1-hexene 916.12
    2-isopropoxyethanol 541.35
    2,2,2-trifluoroethanol 205.48
    methyl butyrate 1081.98

    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