2-Ethyl-6-methylphenol

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  • Identifiers

    CAS number
    1687-64-5

    Molecular formula
    C9H12O

    SMILES
    CCC1=CC=CC(=C1O)C

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 86.16%
    Smoky 70.36%
    Medicinal 64.03%
    Spicy 62.04%
    Sweet 61.98%
    Leathery 48.01%
    Burnt 47.77%
    Musty 43.1%
    Woody 42.88%
    Herbal 34.39%

     

    Flavor
    Phenolic 77.36%
    Sweet 62.39%
    Medicinal 59.8%
    Spicy 51.73%
    Smoky 49.04%
    Phenol 40.81%
    Smoke 40.47%
    Clove 39.36%
    Bacon 38.17%
    Spice 36.09%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.6

    pKa est.
    9.95 (weak base)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    212°C

    Flash point

    • 92.21 ˚C est.

  • Synonyms

    • 2-Ethyl-6-methylphenol
    • Phenol, 2-ethyl-6-methyl-
    • 6-Ethyl-o-cresol
    • o-Cresol, 6-ethyl-
    • UNII-359WUC62RI
    • 359WUC62RI
    • DTXSID80168596
    • RefChem:86925
    • DTXCID8091087
    • 681-418-6
    • CIRRFAQIWQFQSS-UHFFFAOYSA-N
    • 1687-64-5
    • 2-ethyl-6-methyl-phenol
    • MFCD00962292
    • 6-ethyl-2-methylphenol
    • 25750-50-9
    • 2-ethyl-6-methyl phenol
    • 3-Ethyl-2-hydroxytoluene
    • SCHEMBL263474
    • SCHEMBL581645
    • orb3027162
    • SCHEMBL1408302
    • SCHEMBL27863649
    • SCHEMBL28630789
    • SCHEMBL31229333
    • CHEBI:196448
    • PHENOL,2-ETHYL-6-METHYL-
    • SBB071423
    • AKOS022181433
    • EBC-618119
    • HY-W089538
    • PS-9101
    • PD158429
    • ST092325
    • SY049465
    • DB-043761
    • CS-0133334
    • E1185
    • D83897
    • EN300-206716
    • F436874
    • Q27256456
    • 1687-64-5

  • Applications

    2-Ethyl-6-methylphenol (CAS 1687-64-5) is used as an aromatic intermediate and odorant. In perfumery and cosmetics, it may serve as a fragrance component and is often evaluated as a precursor for synthesizing other specialty aroma chemicals for industrial production. In household and cleaning products, it can be used as a fragrance additive to impart scent. It is also employed as a precursor in coatings and inks and in polymer-related formulations where the aromatic phenol structure is desirable. Its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3993.51
    methanol 5094.86
    isopropanol 2572.39
    water 7.51
    ethyl acetate 2445.69
    n-propanol 2750.31
    acetone 3818.56
    n-butanol 2045.84
    acetonitrile 4767.23
    DMF 3033.0
    toluene 640.42
    isobutanol 1820.36
    1,4-dioxane 6210.13
    methyl acetate 2520.17
    THF 5115.58
    2-butanone 2591.14
    n-pentanol 1418.78
    sec-butanol 1637.19
    n-hexane 518.12
    ethylene glycol 389.15
    NMP 1524.22
    cyclohexane 403.69
    DMSO 3335.46
    n-butyl acetate 2437.68
    n-octanol 829.34
    chloroform 5054.6
    n-propyl acetate 2031.64
    acetic acid 1614.0
    dichloromethane 5537.67
    cyclohexanone 2730.72
    propylene glycol 389.81
    isopropyl acetate 1213.5
    DMAc 900.69
    2-ethoxyethanol 1973.33
    isopentanol 1493.76
    n-heptane 244.82
    ethyl formate 1985.71
    1,2-dichloroethane 3882.37
    n-hexanol 1596.48
    2-methoxyethanol 2619.17
    isobutyl acetate 1169.42
    tetrachloromethane 1135.55
    n-pentyl acetate 1142.28
    transcutol 3463.09
    n-heptanol 784.42
    ethylbenzene 507.23
    MIBK 1097.21
    2-propoxyethanol 2270.95
    tert-butanol 2690.99
    MTBE 2823.14
    2-butoxyethanol 1154.21
    propionic acid 1595.1
    o-xylene 399.25
    formic acid 634.88
    diethyl ether 3900.42
    m-xylene 474.79
    p-xylene 597.63
    chlorobenzene 1181.41
    dimethyl carbonate 642.05
    n-octane 154.12
    formamide 1408.41
    cyclopentanone 3082.34
    2-pentanone 2160.57
    anisole 1183.47
    cyclopentyl methyl ether 1887.86
    gamma-butyrolactone 3470.51
    1-methoxy-2-propanol 1649.9
    pyridine 2220.72
    3-pentanone 1400.8
    furfural 1908.31
    n-dodecane 109.22
    diethylene glycol 1114.47
    diisopropyl ether 869.2
    tert-amyl alcohol 1672.7
    acetylacetone 1421.75
    n-hexadecane 123.19
    acetophenone 768.1
    methyl propionate 1663.74
    isopentyl acetate 1638.05
    trichloroethylene 4772.29
    n-nonanol 671.49
    cyclohexanol 1070.06
    benzyl alcohol 626.69
    2-ethylhexanol 830.75
    isooctanol 667.42
    dipropyl ether 1370.61
    1,2-dichlorobenzene 935.18
    ethyl lactate 455.77
    propylene carbonate 1479.51
    n-methylformamide 2566.34
    2-pentanol 1299.92
    n-pentane 386.31
    1-propoxy-2-propanol 1382.58
    1-methoxy-2-propyl acetate 1131.86
    2-(2-methoxypropoxy) propanol 647.86
    mesitylene 342.78
    ε-caprolactone 2055.99
    p-cymene 274.83
    epichlorohydrin 4570.39
    1,1,1-trichloroethane 3039.82
    2-aminoethanol 935.7
    morpholine-4-carbaldehyde 2248.03
    sulfolane 2838.45
    2,2,4-trimethylpentane 165.52
    2-methyltetrahydrofuran 3462.96
    n-hexyl acetate 1445.88
    isooctane 183.09
    2-(2-butoxyethoxy)ethanol 1175.9
    sec-butyl acetate 954.49
    tert-butyl acetate 1286.53
    decalin 198.39
    glycerin 431.13
    diglyme 2245.47
    acrylic acid 1030.12
    isopropyl myristate 487.18
    n-butyric acid 1890.85
    acetyl acetate 883.33
    di(2-ethylhexyl) phthalate 294.81
    ethyl propionate 1354.16
    nitromethane 4027.06
    1,2-diethoxyethane 2346.07
    benzonitrile 1092.97
    trioctyl phosphate 306.65
    1-bromopropane 2453.26
    gamma-valerolactone 3517.77
    n-decanol 495.42
    triethyl phosphate 347.94
    4-methyl-2-pentanol 673.19
    propionitrile 2877.43
    vinylene carbonate 1455.38
    1,1,2-trichlorotrifluoroethane 1272.46
    DMS 796.2
    cumene 356.81
    2-octanol 611.0
    2-hexanone 1760.0
    octyl acetate 643.63
    limonene 406.26
    1,2-dimethoxyethane 3722.37
    ethyl orthosilicate 364.61
    tributyl phosphate 371.66
    diacetone alcohol 1038.45
    N,N-dimethylaniline 596.94
    acrylonitrile 2933.8
    aniline 839.91
    1,3-propanediol 1494.96
    bromobenzene 1207.66
    dibromomethane 3733.34
    1,1,2,2-tetrachloroethane 3082.85
    2-methyl-cyclohexyl acetate 634.87
    tetrabutyl urea 408.32
    diisobutyl methanol 471.62
    2-phenylethanol 810.11
    styrene 647.49
    dioctyl adipate 492.42
    dimethyl sulfate 754.32
    ethyl butyrate 1240.12
    methyl lactate 469.32
    butyl lactate 567.53
    diethyl carbonate 699.87
    propanediol butyl ether 794.73
    triethyl orthoformate 681.11
    p-tert-butyltoluene 292.35
    methyl 4-tert-butylbenzoate 604.73
    morpholine 5009.46
    tert-butylamine 1763.55
    n-dodecanol 375.53
    dimethoxymethane 2529.07
    ethylene carbonate 1434.17
    cyrene 515.74
    2-ethoxyethyl acetate 1311.47
    2-ethylhexyl acetate 1228.04
    1,2,4-trichlorobenzene 908.49
    4-methylpyridine 1956.45
    dibutyl ether 1152.15
    2,6-dimethyl-4-heptanol 471.62
    DEF 1661.44
    dimethyl isosorbide 1066.05
    tetrachloroethylene 2327.88
    eugenol 625.86
    triacetin 675.88
    span 80 611.88
    1,4-butanediol 587.05
    1,1-dichloroethane 4149.01
    2-methyl-1-pentanol 1045.62
    methyl formate 1917.93
    2-methyl-1-butanol 1334.34
    n-decane 185.07
    butyronitrile 2744.3
    3,7-dimethyl-1-octanol 634.8
    1-chlorooctane 636.02
    1-chlorotetradecane 241.43
    n-nonane 195.78
    undecane 138.95
    tert-butylcyclohexane 238.71
    cyclooctane 155.18
    cyclopentanol 1307.8
    tetrahydropyran 4329.63
    tert-amyl methyl ether 1332.12
    2,5,8-trioxanonane 1175.42
    1-hexene 1333.42
    2-isopropoxyethanol 1317.23
    2,2,2-trifluoroethanol 535.31
    methyl butyrate 1805.39

    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