3-Ethyl-p-cresol

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  • Identifiers

    CAS number
    6161-67-7

    Molecular formula
    C9H12O

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

    Safety labels

  • Odor profile

    Fragrance
    Phenolic 80.72%
    Smoky 53.96%
    Leathery 53.9%
    Medicinal 53.59%
    Spicy 51.85%
    Animal 47.7%
    Woody 44.49%
    Burnt 36.76%
    Musty 33.29%
    Dry 31.28%

     

    Flavor
    Phenolic 68.25%
    Medicinal 58.19%
    Woody 39.63%
    Spice 35.99%
    Smoky 35.86%
    Smoke 35.83%
    Spicy 34.88%
    Phenol 34.31%
    Camphor 33.08%
    Leather 32.6%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.7

    pKa est.
    10.26 (weak base)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    234°C

    Melting point expt.

    • 35 - 36 °C

    Flash point

    • 99.9 ˚C est.

  • Synonyms

    • 3-ethyl-4-methylphenol
    • 3-Ethyl-p-cresol
    • UNII-Y51U5VJR2A
    • EINECS 228-189-7
    • Y51U5VJR2A
    • DTXSID60210628
    • RefChem:93845
    • DTXCID90133119
    • 228-189-7
    • 6161-67-7
    • 3-ethyl-4-methyl-phenol
    • 3-Ethyl-p-cresol, 8CI
    • SCHEMBL2015021
    • SCHEMBL2774334
    • SCHEMBL8022916
    • SCHEMBL31305638
    • BTRPJOHXPQOVLS-UHFFFAOYSA-N
    • CHEBI:196444
    • MB23722
    • NS00034748
    • A1-29064
    • Q27294274
    • 6161-67-7

  • Applications

    3-Ethyl-p-cresol (CAS 6161-67-7) is used as an odorant/fragrance component in the fragrance industry and related consumer products; it serves as an intermediate in the synthesis of dyes, pigments, and specialty polymers; it functions as a solvent and processing aid in industrial formulations such as coatings, inks, and adhesives; it acts as a precursor for phenolic resins and polymer formulations; it is evaluated as a precursor in pharmaceutical synthesis; and it may be used in specialty cleaning product formulations as a processing solvent or intermediate.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2681.66
    methanol 2509.87
    isopropanol 1642.16
    water 1.48
    ethyl acetate 1457.55
    n-propanol 2147.75
    acetone 1963.08
    n-butanol 1537.99
    acetonitrile 2316.05
    DMF 1670.64
    toluene 336.16
    isobutanol 1068.75
    1,4-dioxane 3784.28
    methyl acetate 1429.66
    THF 4108.51
    2-butanone 1640.17
    n-pentanol 804.78
    sec-butanol 1048.12
    n-hexane 171.76
    ethylene glycol 248.85
    NMP 628.7
    cyclohexane 118.39
    DMSO 1943.31
    n-butyl acetate 864.48
    n-octanol 343.54
    chloroform 1630.42
    n-propyl acetate 608.78
    acetic acid 504.2
    dichloromethane 1661.45
    cyclohexanone 1242.8
    propylene glycol 277.73
    isopropyl acetate 567.14
    DMAc 540.49
    2-ethoxyethanol 905.73
    isopentanol 762.23
    n-heptane 99.18
    ethyl formate 772.12
    1,2-dichloroethane 1401.42
    n-hexanol 1305.93
    2-methoxyethanol 1630.12
    isobutyl acetate 322.41
    tetrachloromethane 295.36
    n-pentyl acetate 354.78
    transcutol 1284.92
    n-heptanol 405.35
    ethylbenzene 193.8
    MIBK 512.32
    2-propoxyethanol 1531.87
    tert-butanol 1323.86
    MTBE 1403.31
    2-butoxyethanol 554.61
    propionic acid 744.06
    o-xylene 170.56
    formic acid 189.82
    diethyl ether 2294.1
    m-xylene 228.07
    p-xylene 191.86
    chlorobenzene 443.46
    dimethyl carbonate 292.22
    n-octane 51.86
    formamide 408.58
    cyclopentanone 1690.62
    2-pentanone 1230.32
    anisole 471.03
    cyclopentyl methyl ether 1214.22
    gamma-butyrolactone 1591.31
    1-methoxy-2-propanol 1222.98
    pyridine 1002.36
    3-pentanone 739.77
    furfural 729.05
    n-dodecane 38.79
    diethylene glycol 792.87
    diisopropyl ether 316.95
    tert-amyl alcohol 852.28
    acetylacetone 777.18
    n-hexadecane 43.51
    acetophenone 256.54
    methyl propionate 976.72
    isopentyl acetate 576.27
    trichloroethylene 1463.85
    n-nonanol 286.96
    cyclohexanol 644.09
    benzyl alcohol 282.15
    2-ethylhexanol 436.31
    isooctanol 286.65
    dipropyl ether 620.11
    1,2-dichlorobenzene 289.99
    ethyl lactate 167.36
    propylene carbonate 521.3
    n-methylformamide 1214.46
    2-pentanol 745.34
    n-pentane 136.34
    1-propoxy-2-propanol 836.04
    1-methoxy-2-propyl acetate 560.4
    2-(2-methoxypropoxy) propanol 288.86
    mesitylene 137.78
    ε-caprolactone 850.25
    p-cymene 106.24
    epichlorohydrin 2023.8
    1,1,1-trichloroethane 912.68
    2-aminoethanol 590.71
    morpholine-4-carbaldehyde 1024.39
    sulfolane 1240.23
    2,2,4-trimethylpentane 51.42
    2-methyltetrahydrofuran 2057.39
    n-hexyl acetate 474.9
    isooctane 60.47
    2-(2-butoxyethoxy)ethanol 530.76
    sec-butyl acetate 306.85
    tert-butyl acetate 550.02
    decalin 66.88
    glycerin 300.17
    diglyme 919.07
    acrylic acid 391.17
    isopropyl myristate 171.26
    n-butyric acid 949.74
    acetyl acetate 394.05
    di(2-ethylhexyl) phthalate 117.37
    ethyl propionate 474.76
    nitromethane 1371.23
    1,2-diethoxyethane 744.7
    benzonitrile 366.31
    trioctyl phosphate 116.35
    1-bromopropane 1064.98
    gamma-valerolactone 1710.34
    n-decanol 223.35
    triethyl phosphate 118.66
    4-methyl-2-pentanol 326.64
    propionitrile 1538.24
    vinylene carbonate 452.02
    1,1,2-trichlorotrifluoroethane 533.68
    DMS 281.63
    cumene 128.22
    2-octanol 264.53
    2-hexanone 701.7
    octyl acetate 236.14
    limonene 183.27
    1,2-dimethoxyethane 1482.56
    ethyl orthosilicate 121.94
    tributyl phosphate 124.77
    diacetone alcohol 561.29
    N,N-dimethylaniline 230.49
    acrylonitrile 1349.23
    aniline 469.12
    1,3-propanediol 907.83
    bromobenzene 430.37
    dibromomethane 1219.11
    1,1,2,2-tetrachloroethane 1029.4
    2-methyl-cyclohexyl acetate 222.08
    tetrabutyl urea 152.04
    diisobutyl methanol 204.73
    2-phenylethanol 403.26
    styrene 251.84
    dioctyl adipate 168.74
    dimethyl sulfate 338.41
    ethyl butyrate 387.44
    methyl lactate 262.9
    butyl lactate 194.93
    diethyl carbonate 206.79
    propanediol butyl ether 334.08
    triethyl orthoformate 209.89
    p-tert-butyltoluene 117.14
    methyl 4-tert-butylbenzoate 230.34
    morpholine 3525.28
    tert-butylamine 790.46
    n-dodecanol 171.27
    dimethoxymethane 1429.21
    ethylene carbonate 470.92
    cyrene 220.82
    2-ethoxyethyl acetate 454.68
    2-ethylhexyl acetate 423.14
    1,2,4-trichlorobenzene 285.76
    4-methylpyridine 905.79
    dibutyl ether 408.93
    2,6-dimethyl-4-heptanol 204.73
    DEF 783.65
    dimethyl isosorbide 444.41
    tetrachloroethylene 622.13
    eugenol 245.88
    triacetin 215.51
    span 80 276.47
    1,4-butanediol 291.2
    1,1-dichloroethane 1499.41
    2-methyl-1-pentanol 458.78
    methyl formate 785.08
    2-methyl-1-butanol 712.64
    n-decane 65.92
    butyronitrile 1397.89
    3,7-dimethyl-1-octanol 274.08
    1-chlorooctane 242.91
    1-chlorotetradecane 92.14
    n-nonane 69.91
    undecane 49.34
    tert-butylcyclohexane 79.39
    cyclooctane 48.25
    cyclopentanol 800.03
    tetrahydropyran 2890.9
    tert-amyl methyl ether 646.41
    2,5,8-trioxanonane 505.64
    1-hexene 635.16
    2-isopropoxyethanol 611.38
    2,2,2-trifluoroethanol 150.94
    methyl butyrate 611.1

    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