3-Ethyl-5-methylphenol

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  • Identifiers

    CAS number
    698-71-5

    Molecular formula
    C9H12O

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

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Phenolic 68.64%
    Woody 62.71%
    Spicy 50.31%
    Leathery 48.19%
    Animal 45.19%
    Smoky 41.96%
    Medicinal 41.42%
    Dry 38.26%
    Burnt 35.48%
    Musty 28.97%

     

    Flavor
    Phenolic 54.22%
    Woody 50.19%
    Medicinal 41.77%
    Leather 35.43%
    Spice 33.29%
    Smoky 32.85%
    Spicy 29.93%
    Camphor 29.24%
    Smoke 28.77%
    Musty 28.24%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    10.41 (weak base)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    233°C

    Melting point expt.

    • 54 °C

    Flash point

    • 96.52 ˚C est.

    Solubility expt.

    • 2.32 mg/mL at 25 °C

  • Synonyms

    • 3-ETHYL-5-METHYLPHENOL
    • 698-71-5
    • m-Cresol, 5-ethyl-
    • 3-Methyl-5-ethylphenol
    • Phenol, 3-ethyl-5-methyl-
    • 1-Hydroxy-3-methyl-5-ethylbenzene
    • UNII-ZV1NMG73ZT
    • ZV1NMG73ZT
    • NSC 8885
    • NSC-8885
    • EINECS 211-818-4
    • NSC 62673
    • NSC-62673
    • AI3-24210
    • DTXSID60220101
    • RefChem:93843
    • m-Cresol, 5-ethyl-(8CI)
    • DTXCID20142592
    • Phenol, 3-ethyl-5-methyl-(9CI)
    • 211-818-4
    • XTCHLXABLZQNNN-UHFFFAOYSA-N
    • 5-Ethyl-m-cresol
    • 3-ethyl-5-methyl-phenol
    • MFCD00051094
    • 5-Ethyl-3-methylphenol
    • 5-Ethyl-m-cresol, 8CI
    • SCHEMBL911575
    • m-Cresol, 5-ethyl- (8CI)
    • orb1698858
    • SCHEMBL2844276
    • SCHEMBL31200644
    • NSC8885
    • CHEBI:196443
    • NSC62673
    • Phenol, 3-ethyl-5-methyl- (9CI)
    • AKOS006273528
    • AS-57682
    • DB-074229
    • CS-0186818
    • NS00036977
    • D84187
    • 698E715
    • F233682
    • Q27295901
    • 698-71-5

  • Applications

    3-Ethyl-5-methylphenol (CAS 698-71-5) is commonly used as a fragrance ingredient in perfumery and cosmetics/personal care, providing a distinctive aromatic note. It also serves as a chemical intermediate in the synthesis of other aroma-related compounds and derivatives for specialty resins and coatings. In household products, it may be used as a fragrance component. It can act as a building block in polymer and plastics manufacturing and may be used as a processing aid or additive in coatings and inks to support formulation and processing properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3831.52
    methanol 3721.72
    isopropanol 2973.25
    water 1.5
    ethyl acetate 2113.18
    n-propanol 3010.89
    acetone 4071.9
    n-butanol 2392.98
    acetonitrile 3739.61
    DMF 2617.16
    toluene 662.96
    isobutanol 1886.31
    1,4-dioxane 5066.09
    methyl acetate 2042.39
    THF 8246.43
    2-butanone 2306.94
    n-pentanol 1474.7
    sec-butanol 1905.83
    n-hexane 769.34
    ethylene glycol 430.99
    NMP 1464.82
    cyclohexane 480.75
    DMSO 3306.81
    n-butyl acetate 1307.16
    n-octanol 734.94
    chloroform 2236.07
    n-propyl acetate 994.67
    acetic acid 1035.57
    dichloromethane 2119.0
    cyclohexanone 2244.66
    propylene glycol 540.68
    isopropyl acetate 995.32
    DMAc 726.71
    2-ethoxyethanol 1258.37
    isopentanol 1406.0
    n-heptane 308.71
    ethyl formate 1146.97
    1,2-dichloroethane 1848.95
    n-hexanol 2525.21
    2-methoxyethanol 2306.46
    isobutyl acetate 590.57
    tetrachloromethane 391.56
    n-pentyl acetate 581.98
    transcutol 1738.87
    n-heptanol 739.89
    ethylbenzene 342.81
    MIBK 1053.56
    2-propoxyethanol 2351.39
    tert-butanol 2517.06
    MTBE 2459.81
    2-butoxyethanol 848.4
    propionic acid 1185.15
    o-xylene 288.96
    formic acid 276.0
    diethyl ether 3933.63
    m-xylene 472.54
    p-xylene 364.6
    chlorobenzene 676.73
    dimethyl carbonate 487.46
    n-octane 141.6
    formamide 441.54
    cyclopentanone 3203.52
    2-pentanone 2320.63
    anisole 704.57
    cyclopentyl methyl ether 2853.58
    gamma-butyrolactone 2937.07
    1-methoxy-2-propanol 1861.74
    pyridine 1486.07
    3-pentanone 1249.53
    furfural 1028.14
    n-dodecane 99.33
    diethylene glycol 1128.32
    diisopropyl ether 734.54
    tert-amyl alcohol 1430.34
    acetylacetone 1388.5
    n-hexadecane 111.88
    acetophenone 379.94
    methyl propionate 1497.46
    isopentyl acetate 888.78
    trichloroethylene 1954.85
    n-nonanol 553.92
    cyclohexanol 1382.04
    benzyl alcohol 437.06
    2-ethylhexanol 849.86
    isooctanol 512.9
    dipropyl ether 1262.05
    1,2-dichlorobenzene 414.37
    ethyl lactate 294.65
    propylene carbonate 1069.91
    n-methylformamide 1605.27
    2-pentanol 1484.88
    n-pentane 573.55
    1-propoxy-2-propanol 1360.01
    1-methoxy-2-propyl acetate 837.52
    2-(2-methoxypropoxy) propanol 432.89
    mesitylene 283.01
    ε-caprolactone 1498.55
    p-cymene 183.36
    epichlorohydrin 3106.16
    1,1,1-trichloroethane 1364.6
    2-aminoethanol 903.83
    morpholine-4-carbaldehyde 1561.75
    sulfolane 2476.33
    2,2,4-trimethylpentane 144.26
    2-methyltetrahydrofuran 4295.91
    n-hexyl acetate 924.82
    isooctane 174.55
    2-(2-butoxyethoxy)ethanol 798.57
    sec-butyl acetate 512.58
    tert-butyl acetate 1025.22
    decalin 176.36
    glycerin 497.28
    diglyme 1293.27
    acrylic acid 674.66
    isopropyl myristate 314.58
    n-butyric acid 1520.78
    acetyl acetate 645.29
    di(2-ethylhexyl) phthalate 189.38
    ethyl propionate 759.13
    nitromethane 2234.28
    1,2-diethoxyethane 1124.37
    benzonitrile 605.72
    trioctyl phosphate 204.79
    1-bromopropane 1752.76
    gamma-valerolactone 2517.0
    n-decanol 414.36
    triethyl phosphate 169.71
    4-methyl-2-pentanol 687.85
    propionitrile 2366.37
    vinylene carbonate 724.23
    1,1,2-trichlorotrifluoroethane 754.21
    DMS 436.54
    cumene 209.53
    2-octanol 518.44
    2-hexanone 1237.78
    octyl acetate 415.81
    limonene 356.89
    1,2-dimethoxyethane 2294.1
    ethyl orthosilicate 185.23
    tributyl phosphate 213.71
    diacetone alcohol 994.99
    N,N-dimethylaniline 334.07
    acrylonitrile 1955.26
    aniline 676.16
    1,3-propanediol 1271.82
    bromobenzene 654.86
    dibromomethane 1815.46
    1,1,2,2-tetrachloroethane 1413.11
    2-methyl-cyclohexyl acetate 378.82
    tetrabutyl urea 258.78
    diisobutyl methanol 386.14
    2-phenylethanol 602.08
    styrene 431.9
    dioctyl adipate 298.27
    dimethyl sulfate 563.47
    ethyl butyrate 612.13
    methyl lactate 436.34
    butyl lactate 317.7
    diethyl carbonate 288.74
    propanediol butyl ether 635.49
    triethyl orthoformate 332.74
    p-tert-butyltoluene 204.3
    methyl 4-tert-butylbenzoate 356.06
    morpholine 4675.04
    tert-butylamine 1574.38
    n-dodecanol 324.99
    dimethoxymethane 2523.6
    ethylene carbonate 781.48
    cyrene 347.24
    2-ethoxyethyl acetate 616.97
    2-ethylhexyl acetate 618.64
    1,2,4-trichlorobenzene 421.63
    4-methylpyridine 1399.99
    dibutyl ether 878.73
    2,6-dimethyl-4-heptanol 386.14
    DEF 1320.3
    dimethyl isosorbide 656.64
    tetrachloroethylene 837.6
    eugenol 363.42
    triacetin 349.81
    span 80 453.95
    1,4-butanediol 514.66
    1,1-dichloroethane 2206.58
    2-methyl-1-pentanol 861.05
    methyl formate 1268.43
    2-methyl-1-butanol 1254.61
    n-decane 171.46
    butyronitrile 2429.25
    3,7-dimethyl-1-octanol 528.98
    1-chlorooctane 543.67
    1-chlorotetradecane 193.75
    n-nonane 199.3
    undecane 127.67
    tert-butylcyclohexane 200.21
    cyclooctane 185.56
    cyclopentanol 1842.93
    tetrahydropyran 5142.95
    tert-amyl methyl ether 1147.43
    2,5,8-trioxanonane 708.26
    1-hexene 1699.71
    2-isopropoxyethanol 868.17
    2,2,2-trifluoroethanol 231.71
    methyl butyrate 968.48

    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