2-Ethyl-5-methylphenol

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  • Identifiers

    CAS number
    1687-61-2

    Molecular formula
    C9H12O

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Phenolic 86.6%
    Medicinal 64.24%
    Smoky 63.89%
    Sweet 62.38%
    Spicy 61.01%
    Woody 54.58%
    Leathery 49.55%
    Burnt 41.56%
    Musty 39.72%
    Herbal 37.18%

     

    Flavor
    Phenolic 78.65%
    Medicinal 64.58%
    Smoky 45.82%
    Phenol 42.39%
    Smoke 41.78%
    Spicy 40.44%
    Woody 39.35%
    Spice 38.86%
    Sweet 37.16%
    Bacon 36.36%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    10.27 (weak base)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    221°C

    Melting point expt.

    • 42 - 44 °C

    Flash point

    • 98.8 ˚C est.

  • Synonyms

    • 2-Ethyl-5-methylphenol
    • Phenol, 2-ethyl-5-methyl-
    • 6-Ethyl-m-cresol
    • Ethyl-m-cresol
    • m-CRESOL, 6-ETHYL-
    • BRN 2042212
    • UNII-8A5RRS24SV
    • EINECS 216-875-9
    • 8A5RRS24SV
    • DTXSID20168595
    • 4-06-00-03241 (Beilstein Handbook Reference)
    • RefChem:86917
    • DTXCID3091086
    • 5-Ethyl-2-methylphenol
    • LTRVUFFOMIUCPJ-UHFFFAOYSA-N
    • 1687-61-2
    • 2-ethyl-5-methyl-phenol
    • MFCD08691687
    • Phenol,2-ethyl-5-methyl-
    • 6-Ethyl-m-cresol, 8CI
    • orb1304827
    • SCHEMBL1006287
    • SCHEMBL2776799
    • SCHEMBL31191797
    • 2-ETHYL-5-METHYL PHENOL
    • CHEBI:196446
    • BAA68761
    • AKOS006280764
    • HY-W167708
    • BS-35770
    • DB-365091
    • CS-0225071
    • NS00025539
    • EN300-122559
    • G39883
    • Q27270090
    • Z1198181015
    • 1687-61-2

  • Applications

    2-Ethyl-5-methylphenol (CAS 1687-61-2) is used primarily as a building block in organic synthesis and as a fragrance material. In perfumery it contributes distinctive phenolic notes and can function as an odorant or fixative in fragrance formulations. It is commonly evaluated for use in cosmetics and personal care as a fragrance ingredient, and appears in household products such as cleaners and air fresheners to impart scent. In industrial manufacturing, it serves as an intermediate for the production of specialty chemicals and aromatic compounds used in resins, coatings, and polymer formulations. It may also be employed as a precursor in the synthesis of dyes and other specialty chemicals under controlled conditions.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 3564.48
    methanol 3305.02
    isopropanol 2647.18
    water 1.31
    ethyl acetate 1529.18
    n-propanol 2468.26
    acetone 2162.15
    n-butanol 1783.81
    acetonitrile 5375.34
    DMF 1695.58
    toluene 443.28
    isobutanol 1391.0
    1,4-dioxane 3831.36
    methyl acetate 1512.7
    THF 3677.5
    2-butanone 1588.14
    n-pentanol 1084.67
    sec-butanol 1515.0
    n-hexane 417.58
    ethylene glycol 169.38
    NMP 734.21
    cyclohexane 455.08
    DMSO 1537.13
    n-butyl acetate 1455.97
    n-octanol 558.45
    chloroform 3180.99
    n-propyl acetate 934.82
    acetic acid 992.7
    dichloromethane 3221.87
    cyclohexanone 1612.23
    propylene glycol 245.3
    isopropyl acetate 597.66
    DMAc 470.3
    2-ethoxyethanol 795.43
    isopentanol 1008.41
    n-heptane 326.4
    ethyl formate 1274.57
    1,2-dichloroethane 1792.21
    n-hexanol 1661.95
    2-methoxyethanol 1331.68
    isobutyl acetate 461.86
    tetrachloromethane 494.51
    n-pentyl acetate 511.75
    transcutol 1438.72
    n-heptanol 560.7
    ethylbenzene 253.95
    MIBK 528.38
    2-propoxyethanol 1324.44
    tert-butanol 1939.38
    MTBE 1427.61
    2-butoxyethanol 618.16
    propionic acid 907.34
    o-xylene 208.63
    formic acid 235.77
    diethyl ether 2586.31
    m-xylene 284.81
    p-xylene 306.91
    chlorobenzene 600.72
    dimethyl carbonate 258.6
    n-octane 125.76
    formamide 560.63
    cyclopentanone 1625.3
    2-pentanone 1239.7
    anisole 483.53
    cyclopentyl methyl ether 1149.05
    gamma-butyrolactone 1854.72
    1-methoxy-2-propanol 911.03
    pyridine 1568.32
    3-pentanone 730.03
    furfural 886.33
    n-dodecane 81.04
    diethylene glycol 558.04
    diisopropyl ether 414.84
    tert-amyl alcohol 1038.44
    acetylacetone 623.62
    n-hexadecane 91.82
    acetophenone 301.34
    methyl propionate 828.18
    isopentyl acetate 861.16
    trichloroethylene 2172.44
    n-nonanol 431.29
    cyclohexanol 962.06
    benzyl alcohol 338.06
    2-ethylhexanol 693.36
    isooctanol 391.4
    dipropyl ether 1174.07
    1,2-dichlorobenzene 407.45
    ethyl lactate 213.48
    propylene carbonate 809.7
    n-methylformamide 1485.08
    2-pentanol 1000.4
    n-pentane 368.79
    1-propoxy-2-propanol 946.81
    1-methoxy-2-propyl acetate 595.62
    2-(2-methoxypropoxy) propanol 366.33
    mesitylene 177.74
    ε-caprolactone 1055.34
    p-cymene 187.56
    epichlorohydrin 2166.41
    1,1,1-trichloroethane 1342.53
    2-aminoethanol 473.85
    morpholine-4-carbaldehyde 1013.83
    sulfolane 1115.02
    2,2,4-trimethylpentane 97.29
    2-methyltetrahydrofuran 2422.57
    n-hexyl acetate 704.03
    isooctane 106.33
    2-(2-butoxyethoxy)ethanol 595.86
    sec-butyl acetate 401.33
    tert-butyl acetate 517.26
    decalin 130.11
    glycerin 229.68
    diglyme 1075.2
    acrylic acid 500.08
    isopropyl myristate 248.83
    n-butyric acid 1344.16
    acetyl acetate 441.45
    di(2-ethylhexyl) phthalate 160.4
    ethyl propionate 572.76
    nitromethane 2022.47
    1,2-diethoxyethane 1095.34
    benzonitrile 632.27
    trioctyl phosphate 153.01
    1-bromopropane 1601.84
    gamma-valerolactone 1643.85
    n-decanol 319.96
    triethyl phosphate 177.82
    4-methyl-2-pentanol 404.71
    propionitrile 2814.61
    vinylene carbonate 729.54
    1,1,2-trichlorotrifluoroethane 535.55
    DMS 298.78
    cumene 178.02
    2-octanol 389.19
    2-hexanone 934.07
    octyl acetate 316.13
    limonene 312.81
    1,2-dimethoxyethane 1756.57
    ethyl orthosilicate 184.46
    tributyl phosphate 174.71
    diacetone alcohol 494.45
    N,N-dimethylaniline 258.16
    acrylonitrile 2124.54
    aniline 529.19
    1,3-propanediol 823.06
    bromobenzene 591.18
    dibromomethane 2500.38
    1,1,2,2-tetrachloroethane 1379.69
    2-methyl-cyclohexyl acetate 337.77
    tetrabutyl urea 212.59
    diisobutyl methanol 317.94
    2-phenylethanol 458.61
    styrene 321.66
    dioctyl adipate 260.15
    dimethyl sulfate 248.36
    ethyl butyrate 695.54
    methyl lactate 213.63
    butyl lactate 280.12
    diethyl carbonate 371.28
    propanediol butyl ether 416.82
    triethyl orthoformate 364.74
    p-tert-butyltoluene 187.23
    methyl 4-tert-butylbenzoate 297.28
    morpholine 3772.68
    tert-butylamine 1273.37
    n-dodecanol 247.85
    dimethoxymethane 1258.08
    ethylene carbonate 740.24
    cyrene 262.29
    2-ethoxyethyl acetate 524.38
    2-ethylhexyl acetate 640.92
    1,2,4-trichlorobenzene 394.68
    4-methylpyridine 1206.86
    dibutyl ether 737.32
    2,6-dimethyl-4-heptanol 317.94
    DEF 860.18
    dimethyl isosorbide 535.2
    tetrachloroethylene 874.61
    eugenol 280.95
    triacetin 320.59
    span 80 355.74
    1,4-butanediol 296.1
    1,1-dichloroethane 2210.72
    2-methyl-1-pentanol 658.64
    methyl formate 988.65
    2-methyl-1-butanol 905.38
    n-decane 146.61
    butyronitrile 2666.08
    3,7-dimethyl-1-octanol 393.51
    1-chlorooctane 406.67
    1-chlorotetradecane 152.1
    n-nonane 162.32
    undecane 106.86
    tert-butylcyclohexane 131.39
    cyclooctane 131.6
    cyclopentanol 1106.97
    tetrahydropyran 3564.41
    tert-amyl methyl ether 631.52
    2,5,8-trioxanonane 623.83
    1-hexene 1063.67
    2-isopropoxyethanol 533.51
    2,2,2-trifluoroethanol 212.92
    methyl butyrate 825.72

    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